%chk=000100084.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100084

0 1
 O  -0.2334000     -0.2510000       1.013700    
 O   -3.063500     -0.1141000      -1.793200    
 O    3.978200       1.211600      -1.079900    
 O   -6.507700      0.5002000       1.375600    
 O   -7.573200      -1.238100      0.3973000    
 O    5.753100      -2.179100      0.1053000    
 N  -0.9452000       1.211800     -0.6412000    
 N    2.351400      8.3300002E-02  0.1306000    
 N   -4.196900      2.4700001E-02  0.2271000    
 N    5.890600      0.1017000      0.5544000    
 C    1.273100      0.2708000     -0.8117000    
 C   -2.269500       1.440700     -0.1122000    
 C  -2.6699999E-02  0.3737000     -2.4700001E-02
 C    4.563300      0.2827000       1.080800    
 C   -3.190500      0.3620000     -0.6670000    
 C    1.211500     -0.8694000      -1.816100    
 C    3.630300      0.5765000     -8.6499996E-02
 C   -2.777500       2.827800     -0.4735000    
 C   -5.222400     -0.9441000     -8.2800001E-02
 C    4.522800       1.406100       2.105100    
 C   -4.780200      -2.340800      0.3271000    
 C   -6.545600     -0.5933000      0.5771000    
 C    6.375000      -1.119900      0.1092000    
 C    7.782900      -1.023700     -0.4142000    
 H    1.448100       1.211400      -1.347600    
 H   -2.219600       1.348800      0.9794000    
 H  -0.7152000       1.620400      -1.542700    
 H    4.258800     -0.6551000       1.560900    
 H    2.159300     -0.4397000      0.9805000    
 H    1.046000      -1.829900      -1.314800    
 H    2.146100     -0.9464000      -2.381700    
 H   0.3916000     -0.7221000      -2.527100    
 H   -2.105000       3.602000     -8.9299999E-02
 H   -3.775200       3.000800     -5.6400001E-02
 H   -2.846800       2.955400      -1.559900    
 H   -5.394500     -0.9155000      -1.165400    
 H   -4.221400      0.4689000       1.140500    
 H    5.207400       1.202500       2.935300    
 H    3.513900       1.527900       2.513500    
 H    4.815900       2.362900       1.658000    
 H    6.472100      0.9271000      0.4384000    
 H   -4.611500      -2.399400       1.408500    
 H   -3.845900      -2.621000     -0.1710000    
 H   -5.539300      -3.087200      6.9700003E-02
 H    8.215700      -2.025000     -0.4910000    
 H    7.771000     -0.5581000      -1.403300    
 H    8.402300     -0.4273000      0.2618000    
 H   -7.382400      0.6927000       1.775800    


%chk=000100084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100084

0 1
O -0.682731 0.704728 0.859263
O -4.551493 1.336559 -1.518906
O 3.705958 0.475614 -1.277922
O -3.591311 -1.239706 2.448566
O -5.408791 -2.530788 1.791337
O 5.872466 -2.028993 2.316245
N -1.288083 1.956766 -0.998958
N 1.779243 0.210731 -0.012173
N -3.540485 0.230383 0.266988
N 5.299332 -0.668882 0.526295
C 0.891374 0.778812 -1.033012
C -2.587134 2.394444 -0.426093
C -0.421583 1.148429 -0.312589
C 3.936220 -0.425962 1.007955
C -3.657681 1.276809 -0.618276
C 0.634972 -0.216575 -2.198698
C 3.133693 0.117597 -0.194105
C -3.039891 3.707048 -1.076458
C -4.456916 -0.915595 0.196451
C 3.909111 0.561730 2.207209
C -4.054226 -1.934429 -0.909043
C -4.572406 -1.641736 1.532858
C 6.183618 -1.475383 1.212781
C 7.553267 -1.656642 0.564520
H 1.371286 1.686896 -1.448425
H -2.415984 2.528648 0.658286
H -1.063283 2.256024 -1.950730
H 3.506347 -1.389923 1.346994
H 1.321313 -0.041457 0.873099
H 0.129230 -1.125506 -1.829320
H 1.603334 -0.497157 -2.643636
H 0.009516 0.237301 -2.988904
H -2.258233 4.480683 -0.978335
H -3.957916 4.072115 -0.587739
H -3.285774 3.551018 -2.141332
H -5.461810 -0.529889 -0.059852
H -2.752113 0.211078 0.930288
H 4.532689 0.147769 3.016159
H 2.882912 0.699898 2.593920
H 4.309329 1.546181 1.908135
H 5.513652 -0.265985 -0.393855
H -3.045245 -2.340440 -0.717881
H -4.059247 -1.417727 -1.882646
H -4.776574 -2.767370 -0.941367
H 8.331576 -1.286039 1.254056
H 7.739425 -2.733578 0.411270
H 7.652433 -1.132929 -0.401620
H -3.682087 -1.760368 3.291600


