%chk=000124433.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124433

0 1
 O   0.1122000       3.925900      0.4109000    
 O   -1.168100       1.424300      0.3724000    
 N    2.150500       1.099000     -0.8331000    
 N   -2.933400      -2.815800     -0.3651000    
 C    3.296000      0.3996000     -0.2541000    
 C    2.887600     -0.2660000       1.064700    
 C    3.834300     -0.6327000      -1.250900    
 C    4.040100      -1.071800       1.661700    
 C    4.986000      -1.437500     -0.6509000    
 C    4.587200      -2.092900      0.6682000    
 C    1.655000       2.119300      7.7799998E-02
 C   0.4911000       2.910900     -0.5232000    
 C  -0.7309000       2.048400     -0.8309000    
 C   -2.272100      0.6195000      0.2819000    
 C   -2.157200     -0.7562000     -1.0000000E-03
 C   -3.320200      -1.525100     -8.2199998E-02
 C   -3.543300       1.173300      0.4726000    
 C   -1.060900      -1.629900     -0.2447000    
 C   -4.597300     -0.9851000      0.1059000    
 C   -4.686600      0.3816000      0.3855000    
 C   -1.570000      -2.889000     -0.4654000    
 H    4.098300       1.123500     -5.5100001E-02
 H    2.027400     -0.9291000      0.9129000    
 H    2.608800      0.4635000       1.830900    
 H    4.180900     -0.1337000      -2.164300    
 H    3.033400      -1.322300      -1.549600    
 H    3.700400      -1.586300       2.567800    
 H    4.844900     -0.3901000       1.963900    
 H    5.845600     -0.7763000     -0.4850000    
 H    5.307400      -2.206700      -1.362000    
 H    5.453700      -2.603300       1.103300    
 H    3.826200      -2.860000      0.4783000    
 H    2.420900       1.528400      -1.717400    
 H    1.291400       1.704400       1.022300    
 H    2.457900       2.821400      0.3382000    
 H   0.8110000       3.416900      -1.441900    
 H  -0.4980000       1.291000      -1.587900    
 H   -1.538800       2.687000      -1.208800    
 H   0.8857000       4.498200      0.5519000    
 H   -3.645500       2.233400      0.6919000    
 H  -1.2900000E-02  -1.367700     -0.2636000    
 H   -5.488000      -1.600600      3.8400002E-02
 H   -3.565300      -3.595700     -0.4822000    
 H   -5.664000      0.8326000      0.5371000    
 H   -1.083800      -3.828800     -0.6860000    


%chk=000124433-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124433

0 1
O 0.170099 4.349694 -0.326874
O -1.207067 1.800052 0.331067
N 2.083117 1.122289 -0.805383
N -2.416999 -2.695198 -0.686127
C 3.129004 0.323161 -0.105645
C 2.577583 -0.349700 1.175015
C 3.668057 -0.744948 -1.086426
C 3.646239 -1.251092 1.839713
C 4.737915 -1.647383 -0.429037
C 4.188411 -2.313338 0.854713
C 1.600654 2.326076 -0.094334
C 0.505525 3.042316 -0.914108
C -0.795685 2.247872 -1.016224
C -2.163093 0.758170 0.363463
C -1.900936 -0.528203 -0.193640
C -2.921512 -1.537509 -0.078253
C -3.380671 0.990329 1.028320
C -0.768924 -1.128115 -0.873845
C -4.155022 -1.314540 0.577046
C -4.361643 -0.037881 1.136487
C -1.119059 -2.445746 -1.159681
H 3.991781 0.973855 0.200220
H 1.688457 -0.949343 0.899128
H 2.236717 0.415114 1.898062
H 4.088197 -0.249947 -1.987297
H 2.812743 -1.364361 -1.426045
H 3.213411 -1.741060 2.732934
H 4.489278 -0.623771 2.198272
H 5.628916 -1.037959 -0.171515
H 5.074901 -2.417263 -1.149845
H 4.978070 -2.919116 1.340177
H 3.367738 -3.008828 0.582383
H 2.415628 1.371621 -1.751123
H 1.160868 2.035007 0.873048
H 2.426052 3.060180 0.111990
H 0.874917 3.193417 -1.957963
H -0.640418 1.380842 -1.682540
H -1.587355 2.900422 -1.433006
H 1.008239 4.805458 -0.057958
H -3.558764 1.981403 1.456868
H 0.186141 -0.644045 -1.084248
H -4.917401 -2.096943 0.657180
H -2.910053 -3.582408 -0.753404
H -5.300356 0.177162 1.659022
H -0.546101 -3.226242 -1.657386


