%chk=000196442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196442

0 1
O 3.551141 -1.328857 0.610320
O 4.432206 1.053184 -0.746747
O 7.779438 0.065839 -1.263567
O 6.998803 0.958071 0.637027
N 1.894382 -0.057876 1.524408
C -0.912217 0.030689 0.643654
C -0.096017 -1.276528 0.615237
C 0.033218 1.237271 0.473211
C -1.991191 0.025873 -0.474351
C 1.020941 -1.260386 1.668414
C 1.138477 1.223067 1.540416
C -2.836409 1.285436 -0.492291
C -2.895594 -1.187488 -0.362098
C 3.119899 -0.210770 0.864421
C -3.209541 1.831414 -1.731497
C -2.901640 -2.137456 -1.395627
C -3.265929 1.909991 0.688175
C -3.721911 -1.381153 0.754914
C 3.967119 1.037104 0.614018
C -3.995910 2.984767 -1.785906
C -3.722218 -3.265413 -1.309791
C -4.051817 3.064255 0.629603
C -4.540670 -2.510455 0.836710
C -4.417986 3.605699 -0.606042
C -4.542488 -3.455847 -0.193691
C 5.431599 0.079555 -1.066975
C 6.754476 0.444174 -0.427685
H -1.420427 0.109005 1.635495
H 0.340851 -1.435298 -0.390217
H -0.758432 -2.146740 0.793048
H -0.536484 2.184734 0.538110
H 0.483741 1.227015 -0.538510
H -1.439980 -0.031903 -1.452854
H 0.598899 -1.250136 2.696754
H 1.649560 -2.179318 1.579093
H 1.830340 2.082889 1.390598
H 0.699283 1.341854 2.557803
H -2.893177 1.352719 -2.656559
H -2.268208 -1.999797 -2.269725
H -2.990625 1.496619 1.656883
H -3.735530 -0.646430 1.557621
H 3.404737 1.992222 0.664345
H 4.821951 1.073870 1.324218
H -4.282118 3.399908 -2.751200
H -3.722179 -3.997435 -2.115982
H -4.381630 3.541515 1.551048
H -5.181338 -2.652644 1.705623
H -5.030328 4.503645 -0.649963
H -5.180930 -4.334136 -0.128248
H 5.470950 0.131690 -2.175236
H 5.115205 -0.944833 -0.746452
H 8.679409 0.253824 -0.884347


%chk=000196442-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196442

0 1
O 3.861679 -1.521542 1.775769
O 4.081622 1.546233 0.199714
O 6.292671 -0.056609 -2.278208
O 6.876168 1.000063 -0.286946
N 1.978643 -0.143692 1.695165
C -0.779871 0.002280 0.659705
C -0.000651 -1.333565 0.746383
C 0.229722 1.164953 0.488688
C -1.836214 -0.005503 -0.497370
C 1.062078 -1.294474 1.864364
C 1.307814 1.171811 1.597186
C -2.650052 1.294686 -0.603088
C -2.762325 -1.232235 -0.422800
C 3.347527 -0.357596 1.674690
C -3.034326 1.763473 -1.885803
C -2.614404 -2.291694 -1.353250
C -3.078860 2.030998 0.532124
C -3.765314 -1.347003 0.574549
C 4.267946 0.867797 1.503869
C -3.822439 2.925414 -2.036041
C -3.439303 -3.437889 -1.291775
C -3.867265 3.194844 0.388671
C -4.589172 -2.491909 0.643259
C -4.244528 3.647648 -0.895995
C -4.430319 -3.543408 -0.289973
C 4.480322 0.738646 -0.937274
C 5.998707 0.606504 -1.078597
H -1.313214 0.135918 1.626531
H 0.497814 -1.535723 -0.223582
H -0.691105 -2.174174 0.940062
H -0.290152 2.140227 0.492756
H 0.731927 1.065367 -0.495087
H -1.256460 -0.100538 -1.439776
H 0.560238 -1.206384 2.851708
H 1.679094 -2.207559 1.874024
H 2.049816 1.952482 1.378034
H 0.830017 1.401208 2.574487
H -2.716300 1.205853 -2.775858
H -1.845780 -2.218856 -2.133193
H -2.791498 1.706839 1.539497
H -3.918478 -0.530536 1.289410
H 4.065770 1.653467 2.250585
H 5.307818 0.518142 1.615613
H -4.105560 3.267179 -3.038092
H -3.309187 -4.244090 -2.022683
H -4.185530 3.748806 1.279358
H -5.360413 -2.561620 1.419002
H -4.855055 4.550592 -1.007370
H -5.073244 -4.429194 -0.239195
H 4.087332 1.249655 -1.832261
H 4.047860 -0.283314 -0.907033
H 7.278140 -0.164975 -2.368347


