%chk=000039194.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039194

0 1
 O    2.897000      0.6039000     -0.4651000    
 O   -4.734300       1.024600      0.7774000    
 O    1.440700      -1.027300      0.2050000    
 N    6.411900     -0.5055000     -4.1200001E-02
 N   0.7288000       1.166300     -0.2219000    
 C    5.262200      0.3884000     -6.2500000E-02
 C    3.966900     -0.3471000     -0.4147000    
 C    7.646300      0.2451000      0.1987000    
 C    6.242600      -1.541200      0.9803000    
 C    4.025700      -1.046700      -1.766700    
 C    7.843700       1.326700     -0.8498000    
 C    7.404100      -2.520500      0.9669000    
 C   -7.611200      -1.215100     -0.1302000    
 C   -6.841200      7.2499998E-02  0.1541000    
 C   -9.048300     -0.9206000     -0.5592000    
 C   -5.396600     -0.2101000      0.5413000    
 C    1.656800      0.1321000     -0.1261000    
 C   -9.808200      -2.198800     -0.8759000    
 C  -0.6429000       1.131100      3.0500000E-02
 C   -3.386100       1.060100      0.5327000    
 C   -2.781900       2.250100      0.1270000    
 C   -2.618600     -9.4499998E-02  0.6872000    
 C   -1.410300       2.285700     -0.1240000    
 C   -1.247100     -5.8899999E-02  0.4360000    
 H    5.368000       1.175100     -0.8179000    
 H    5.136300      0.9109000      0.8959000    
 H    3.738900      -1.075700      0.3684000    
 H    7.664800      0.6950000       1.199400    
 H    8.518300     -0.4114000      0.1137000    
 H    5.359600      -2.154300      0.7811000    
 H    6.127900      -1.113100       1.984000    
 H    4.791400      -1.827400      -1.792700    
 H    3.064300      -1.511700      -2.010100    
 H    4.233500     -0.3280000      -2.567400    
 H    7.677100      0.9482000      -1.864200    
 H    7.202600       2.197300     -0.6809000    
 H    8.876200       1.692400     -0.8063000    
 H    7.147900      -3.401700       1.566300    
 H    8.312500      -2.099300       1.408100    
 H    7.628700      -2.870600     -4.6599999E-02
 H   -7.615800      -1.847500      0.7658000    
 H   -7.102800      -1.779900     -0.9213000    
 H   -6.857900      0.7268000     -0.7267000    
 H   -7.330200      0.6384000      0.9569000    
 H   -9.048100     -0.2753000      -1.445400    
 H   -9.570600     -0.3780000      0.2374000    
 H   -5.363800     -0.8157000       1.454400    
 H   -4.931900     -0.7674000     -0.2825000    
 H   -9.329400      -2.747800      -1.693000    
 H   -9.853800      -2.855000     -1.0000000E-03
 H   -10.83360      -1.964900      -1.178900    
 H    1.102800       2.065800     -0.5147000    
 H   -3.375100       3.152200      4.4000000E-03
 H   -3.045700      -1.033200       1.027700    
 H  -0.9527000       3.219700     -0.4399000    
 H  -0.7166000     -0.9896000      0.5827000    


%chk=000039194-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039194

0 1
O 3.045762 0.765129 -0.290911
O -4.831105 0.966740 -0.044469
O 1.566570 -1.071398 -0.441120
N 6.537944 -0.403591 0.396464
N 0.826966 1.168530 -0.203097
C 5.369377 0.505546 0.299216
C 4.213430 -0.159652 -0.476359
C 7.844763 0.305319 0.348446
C 6.429073 -1.353295 1.538809
C 4.493351 -0.343620 -1.969913
C 8.213513 0.791108 -1.066108
C 7.207621 -2.662675 1.308319
C -7.931149 -1.257138 -0.119937
C -7.056630 0.015938 -0.052976
C -9.444110 -0.950502 -0.034733
C -5.564165 -0.308669 -0.143470
C 1.770977 0.164753 -0.325478
C -10.316644 -2.222718 -0.091806
C -0.590889 1.033692 -0.171588
C -3.427556 0.914674 -0.094786
C -2.764331 2.162094 0.016297
C -2.664990 -0.269211 -0.244805
C -1.361878 2.219351 -0.021744
C -1.254314 -0.212727 -0.283530
H 5.664478 1.426741 -0.235076
H 4.991332 0.818597 1.301391
H 3.940571 -1.128939 -0.019155
H 7.868955 1.166936 1.063205
H 8.621645 -0.403253 0.688595
H 5.359452 -1.600060 1.672778
H 6.762154 -0.875974 2.495134
H 5.425104 -0.924472 -2.085116
H 3.668056 -0.886552 -2.460861
H 4.623954 0.636226 -2.464550
H 8.259871 -0.064902 -1.761743
H 7.472301 1.509262 -1.461432
H 9.197731 1.295802 -1.057212
H 7.078646 -3.345420 2.168944
H 8.291003 -2.483191 1.183946
H 6.840515 -3.167205 0.397818
H -7.653536 -1.944340 0.706679
H -7.724797 -1.804317 -1.063749
H -7.325228 0.704547 -0.876999
H -7.247821 0.557146 0.893628
H -9.724591 -0.269113 -0.863337
H -9.650845 -0.399333 0.905010
H -5.253740 -0.980989 0.684414
H -5.323300 -0.802653 -1.108652
H -10.149938 -2.776419 -1.035130
H -10.076746 -2.905921 0.744721
H -11.392781 -1.977838 -0.029848
H 1.211085 2.112179 -0.122325
H -3.364253 3.069618 0.131914
H -3.150694 -1.245149 -0.334203
H -0.860682 3.191643 0.066480
H -0.666694 -1.125733 -0.399494


