%chk=000192947.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192947

0 1
O 4.762096 2.046589 -0.079520
N -6.465044 0.265600 -0.277989
C 2.297042 0.230188 0.114671
C 1.473787 -1.014485 -0.346690
C 0.037570 -0.964285 0.189213
C -0.652443 0.316455 -0.358851
C 3.715620 -0.147070 -0.420288
C -2.093022 0.456438 0.243894
C 1.658507 1.461279 -0.555910
C 0.186400 1.595329 -0.135052
C 2.372217 -2.204992 0.028391
C 3.814725 -1.675537 -0.163090
C -0.754564 -2.207763 -0.257082
C 2.316995 0.407000 1.640575
C -2.843244 -0.867447 0.119465
C -2.833513 1.562639 -0.557778
C 4.889935 0.631248 0.197924
C -2.231329 -2.040975 -0.090369
C -2.039261 0.820579 1.740198
C -4.334569 -0.820790 0.323390
C -4.332215 1.636872 -0.257820
C -4.997645 0.271005 -0.539189
C 6.236378 0.267533 -0.420963
H 1.411014 -0.990220 -1.466041
H 0.047702 -0.927101 1.303957
H -0.767167 0.179520 -1.463485
H 3.734304 0.036989 -1.521079
H 1.731072 1.379916 -1.657021
H 2.219322 2.381140 -0.288486
H 0.139447 1.888982 0.933867
H -0.271857 2.432516 -0.696055
H 2.173442 -3.082220 -0.605405
H 2.201777 -2.526574 1.068755
H 4.425228 -1.891884 0.728808
H 4.312297 -2.174943 -1.009429
H -0.406960 -3.090999 0.315584
H -0.540476 -2.440391 -1.322071
H 2.831342 1.325480 1.938553
H 1.300089 0.457334 2.049943
H 2.817277 -0.432131 2.135873
H -2.688578 1.382037 -1.641439
H -2.368315 2.544071 -0.347070
H 4.920837 0.525580 1.305702
H -2.797314 -2.969458 -0.164130
H -1.457880 1.732876 1.913335
H -3.042301 0.985923 2.146558
H -1.576810 0.015747 2.323166
H -4.806593 -1.797816 0.088068
H -4.545544 -0.649446 1.398916
H -4.494724 1.935887 0.794323
H -4.796981 2.426720 -0.875215
H -4.858773 0.010608 -1.621974
H 7.013234 0.959059 -0.065593
H 6.540532 -0.751820 -0.170157
H 6.215678 0.364129 -1.513347
H 3.833571 2.346170 0.033616
H -6.937998 0.966078 -0.840038
H -6.673216 0.470234 0.693781


%chk=000192947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192947

0 1
O 4.933772 2.067469 -0.309240
N -6.538258 0.189859 -0.434190
C 2.360194 0.270268 0.210733
C 1.499043 -0.961867 -0.221587
C 0.037260 -0.940938 0.267112
C -0.661543 0.364085 -0.226973
C 3.740669 -0.139875 -0.427027
C -2.145208 0.485257 0.292807
C 1.670689 1.526160 -0.384950
C 0.189624 1.632227 0.067809
C 2.382713 -2.184356 0.125471
C 3.842484 -1.678850 -0.126793
C -0.731779 -2.177129 -0.254909
C 2.492588 0.394723 1.753367
C -2.882513 -0.859661 0.118366
C -2.887165 1.567124 -0.568271
C 5.006875 0.623804 0.019692
C -2.232445 -2.027772 -0.138864
C -2.192913 0.891682 1.799518
C -4.400980 -0.841217 0.250682
C -4.416450 1.613243 -0.349387
C -5.072679 0.236230 -0.635306
C 6.278258 0.134760 -0.685832
H 1.450279 -0.908684 -1.335311
H 0.017343 -0.968708 1.376729
H -0.730126 0.266057 -1.335564
H 3.648880 0.006938 -1.525060
H 1.728005 1.476184 -1.491870
H 2.182697 2.465346 -0.085417
H 0.167741 1.851125 1.151796
H -0.266965 2.507610 -0.432626
H 2.137063 -3.067147 -0.491098
H 2.241491 -2.480711 1.182805
H 4.479156 -1.855277 0.762651
H 4.320842 -2.211290 -0.967570
H -0.403924 -3.084849 0.290962
H -0.458768 -2.356878 -1.319540
H 3.079285 1.292334 2.028668
H 1.511115 0.486918 2.248737
H 3.004072 -0.479675 2.193685
H -2.692130 1.351011 -1.639971
H -2.453965 2.564131 -0.358609
H 5.133412 0.503697 1.119558
H -2.830224 -2.941729 -0.275150
H -1.881579 1.942318 1.946283
H -3.211700 0.791400 2.211671
H -1.531092 0.245316 2.403995
H -4.822570 -1.830072 -0.003144
H -4.693562 -0.633830 1.304844
H -4.652690 1.910286 0.693657
H -4.865039 2.384357 -1.008050
H -4.881008 -0.023163 -1.696829
H 7.135978 0.759181 -0.381685
H 6.498761 -0.916064 -0.430212
H 6.162669 0.219201 -1.781453
H 4.097893 2.441573 0.067243
H -7.060319 0.806151 -1.068112
H -6.812155 0.349118 0.543657


