%chk=000033455.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033455

0 1
 O   -1.004900      -1.653000     -6.2600002E-02
 O   -5.376800     -0.1801000       1.351300    
 O   -2.641200       2.751700      -1.042600    
 O   -3.363600      -2.279700       1.255200    
 O  -0.5745000       1.136900      -2.447500    
 O    6.887200      0.8149000       1.483000    
 N    1.406400      -2.713600      -1.133600    
 C   -4.022000       1.206000      0.1908000    
 C   -1.999000     -0.7183000      2.3700001E-02
 C   -1.821700      0.5427000     -0.5514000    
 C   -4.159900     -6.0300000E-02  0.7498000    
 C   -2.825000       1.518700     -0.4769000    
 C   -3.181100      -1.050800      0.6922000    
 C   -1.033100      -2.519500      -1.192300    
 C   0.1579000      -3.461300      -1.115400    
 C   -5.234500       1.887700      0.4758000    
 C  -0.5741000      0.8510000      -1.243300    
 C   -6.019700       1.004400       1.179500    
 C   0.7088000      0.7821000     -0.4683000    
 C    2.499700      -3.516600     -0.5807000    
 C    1.733500      -2.284400      -2.495700    
 C   -2.058500       3.755100     -0.2183000    
 C   -2.954900      -2.436300       2.611900    
 C    1.880900       1.030300      -1.071000    
 C    3.192600      0.9739000     -0.4019000    
 C    3.337900      0.2625000      0.7891000    
 C    4.288900       1.631700     -0.9594000    
 C    4.579400      0.2089000       1.422500    
 C    5.530500       1.578300     -0.3261000    
 C    5.675700      0.8670000      0.8649000    
 C    6.965100      7.0000000E-02   2.697400    
 H   -1.042800      -1.942000      -2.123000    
 H   -1.954400      -3.114300      -1.163900    
 H   7.2499998E-02  -4.003800     -0.1643000    
 H   0.1129000      -4.210200      -1.915800    
 H   -5.502800       2.898300      0.2021000    
 H   -7.009800       1.063500       1.607400    
 H   0.6237000      0.5487000      0.5867000    
 H    2.293600      -3.783400      0.4619000    
 H    3.433700      -2.943500     -0.5753000    
 H    2.662900      -4.438900      -1.149900    
 H   0.9780000      -1.604900      -2.901000    
 H    1.839000      -3.132600      -3.182200    
 H    2.677400      -1.727300      -2.503100    
 H   -1.949500       4.666200     -0.8130000    
 H   -1.068400       3.448600      0.1326000    
 H   -2.706200       3.973200      0.6367000    
 H    1.910700       1.290600      -2.126300    
 H   -1.880800      -2.251600       2.714000    
 H   -3.516500      -1.758200       3.262300    
 H   -3.163100      -3.465600       2.916100    
 H    2.517300     -0.2826000       1.246800    
 H    4.193700       2.191800      -1.886500    
 H    4.623700     -0.3654000       2.341600    
 H    6.381000       2.092900     -0.7650000    
 H    6.331500      0.5049000       3.477700    
 H    6.751300     -0.9916000       2.532700    
 H    7.999100      0.1364000       3.051500    


%chk=000033455-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033455

0 1
O -0.978394 -1.304128 0.187940
O -5.798478 -0.500549 0.786529
O -3.205913 3.113920 -0.538988
O -3.487402 -2.390057 0.863783
O -0.742050 2.076106 -2.022146
O 7.121913 0.593467 0.991922
N 1.589640 -2.755484 -0.508131
C -4.386471 1.183235 0.065348
C -2.118211 -0.469047 0.118501
C -1.972380 0.901020 -0.318860
C -4.475382 -0.178618 0.443334
C -3.129648 1.747033 -0.291371
C -3.358533 -1.032428 0.507919
C -0.892532 -2.341816 -0.878092
C 0.221066 -3.321329 -0.510679
C -5.725085 1.733710 0.187812
C -0.684617 1.354865 -0.963663
C -6.537676 0.704477 0.609526
C 0.610355 0.974082 -0.358194
C 2.550772 -3.688550 0.117362
C 2.045178 -2.321250 -1.846322
C -2.038513 4.001591 -0.441343
C -2.970807 -2.708456 2.216227
C 1.789417 1.489331 -0.841835
C 3.136263 1.201186 -0.348563
C 3.418947 0.126446 0.544448
C 4.228863 2.016408 -0.777134
C 4.725593 -0.111900 1.010651
C 5.534809 1.794398 -0.316833
C 5.788896 0.730964 0.587772
C 7.443967 -0.483261 1.933781
H -0.712496 -1.834297 -1.845404
H -1.855424 -2.884819 -0.924960
H 0.010432 -3.710930 0.503102
H 0.137642 -4.189716 -1.220201
H -6.022716 2.756831 -0.025645
H -7.599096 0.620845 0.825002
H 0.586686 0.276702 0.481374
H 2.225470 -3.927797 1.146042
H 3.546032 -3.211177 0.169999
H 2.663324 -4.652750 -0.442295
H 1.397361 -1.517588 -2.233081
H 2.060620 -3.156279 -2.592856
H 3.065208 -1.907329 -1.767117
H -2.462135 4.992182 -0.212905
H -1.485373 4.009618 -1.394396
H -1.363249 3.677334 0.373016
H 1.708045 2.200244 -1.678246
H -1.898543 -2.450913 2.288869
H -3.549817 -2.162654 2.984688
H -3.117725 -3.792638 2.338261
H 2.612853 -0.556750 0.836124
H 4.037644 2.840759 -1.474648
H 4.908576 -0.948325 1.692275
H 6.371322 2.422635 -0.636811
H 6.894108 -0.360675 2.886712
H 7.220490 -1.476947 1.499597
H 8.524871 -0.391831 2.113703


