%chk=000116450.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116450

2 1
O 2.057952 -0.045395 0.011815
O 2.576278 -2.033705 -1.061301
N 0.577716 2.298905 -0.184787
N -3.569624 -0.630531 0.010190
N 4.173608 -0.863053 0.245041
C -0.081972 0.957228 -0.088618
C -2.079109 -0.438244 0.003626
C -1.482910 0.821179 -0.066956
C -0.414285 3.439951 -0.290427
C 1.455763 2.336607 -1.422248
C 1.418862 2.528666 1.057111
C -3.967425 -1.428056 1.239132
C -3.972096 -1.386476 -1.242956
C -4.333826 0.676950 0.038701
C 0.721138 -0.218606 -0.022667
C -1.269730 -1.602705 0.055778
C 0.103536 -1.490234 0.045232
C 3.005485 -1.172506 -0.355384
C 5.383277 -1.681415 -0.026729
H -2.108076 1.719442 -0.110205
H -1.041022 3.367804 -1.198608
H -1.066303 3.515215 0.598896
H 0.112173 4.417693 -0.363460
H 1.937648 3.324941 -1.553072
H 2.272558 1.585823 -1.370342
H 0.877161 2.123417 -2.340949
H 0.807839 2.487112 1.978246
H 2.215824 1.762977 1.157439
H 1.921039 3.515639 1.034335
H -3.621687 -0.941570 2.172010
H -5.068845 -1.539561 1.316821
H -3.553494 -2.454495 1.231344
H -3.526132 -2.398671 -1.287958
H -5.071124 -1.525742 -1.303612
H -3.658169 -0.853484 -2.161463
H -4.143901 1.294262 -0.858569
H -5.432390 0.498671 0.055087
H -4.110723 1.271454 0.944288
H -1.721278 -2.602679 0.105538
H 0.730270 -2.399499 0.069197
H 4.277326 -0.049225 0.849972
H 6.145873 -1.081458 -0.561007
H 5.159134 -2.573264 -0.645223
H 5.815964 -2.037061 0.930241


%chk=000116450-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116450

2 1
O 2.138911 -0.040820 0.249580
O 2.568437 -1.888859 -1.248402
N 0.566245 2.344744 -0.110264
N -3.575320 -0.650687 -0.022212
N 4.256029 -0.979162 0.143306
C -0.069926 0.962469 0.003078
C -2.062069 -0.456380 0.045132
C -1.476447 0.822379 -0.044258
C -0.458419 3.470295 -0.281306
C 1.496936 2.392942 -1.344266
C 1.369633 2.658233 1.172294
C -4.070888 -1.322815 1.275223
C -3.924594 -1.547672 -1.229022
C -4.346208 0.661453 -0.184116
C 0.759339 -0.190155 0.155806
C -1.250676 -1.601612 0.199099
C 0.142768 -1.463847 0.256183
C 3.026881 -1.125515 -0.388397
C 5.406699 -1.807244 -0.286997
H -2.102788 1.706339 -0.154779
H -1.028625 3.321989 -1.210216
H -1.120457 3.514105 0.596081
H 0.098056 4.416417 -0.353025
H 1.930354 3.402682 -1.407608
H 2.289755 1.646451 -1.221524
H 0.898942 2.176323 -2.241818
H 0.676595 2.656234 2.026871
H 2.142072 1.891195 1.302146
H 1.828749 3.651825 1.056185
H -3.816139 -0.676993 2.128394
H -5.161511 -1.454905 1.206547
H -3.589188 -2.302818 1.391517
H -3.437810 -2.525543 -1.115498
H -5.016850 -1.679486 -1.261819
H -3.568966 -1.059185 -2.148175
H -4.055612 1.150529 -1.125575
H -5.419136 0.422007 -0.222852
H -4.156399 1.313687 0.681094
H -1.669668 -2.608903 0.280321
H 0.765208 -2.352801 0.373035
H 4.389714 -0.295103 0.891029
H 6.213207 -1.164267 -0.676516
H 5.078036 -2.492154 -1.082669
H 5.787430 -2.399071 0.561891


