%chk=000104490.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104490

0 1
O 0.508571 1.873791 0.674072
O 2.977976 -1.873254 -0.425585
N -0.606939 -0.120457 0.472045
N -3.988679 1.375786 -0.213555
N 1.801075 0.020611 0.125364
C -1.888181 0.601023 0.747969
C -2.587570 0.991592 -0.571973
C -0.600593 -1.503637 0.194081
C 0.628738 -2.131998 -0.101520
C -4.963563 1.001544 -1.290825
C -4.075558 2.837109 0.125467
C 0.576054 0.684029 0.434962
C 1.897765 -1.394307 -0.157882
C -1.792620 -2.270603 0.215305
C 3.017107 0.834322 0.102339
C 0.656192 -3.520873 -0.358098
C -5.163762 -0.514514 -1.317860
C -5.329643 3.103172 0.958607
C -1.736100 -3.632020 -0.040913
C -0.511966 -4.266141 -0.328682
C 3.882029 0.742280 -0.999387
C 3.303586 1.685639 1.181093
C 5.047298 1.512641 -1.010681
C 4.470783 2.452027 1.146784
C 5.342803 2.367121 0.056403
H -2.551035 -0.041632 1.371663
H -1.664643 1.510451 1.356248
H -2.017704 1.795426 -1.085155
H -2.590867 0.125616 -1.270281
H -5.936239 1.492329 -1.056963
H -4.657494 1.367111 -2.294698
H -3.177160 3.114835 0.722103
H -4.066981 3.488390 -0.775195
H -2.749144 -1.794314 0.436511
H 1.621182 -3.990427 -0.580489
H -4.262601 -1.043896 -1.647676
H -5.415856 -0.893061 -0.318281
H -5.979163 -0.789050 -1.995421
H -6.247988 2.969454 0.375804
H -5.388948 2.412251 1.810660
H -5.328087 4.124520 1.353604
H -2.653324 -4.224699 -0.020340
H -0.489503 -5.336018 -0.525541
H 3.662714 0.061571 -1.821994
H 2.616306 1.765962 2.023174
H 5.728505 1.443261 -1.858055
H 4.699679 3.119398 1.976888
H 6.251549 2.965538 0.038705


%chk=000104490-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104490

0 1
O 0.303875 1.802274 0.594190
O 3.138556 -1.842469 -0.282806
N -0.649580 -0.322241 0.411641
N -3.965733 1.400688 -0.326783
N 1.731845 -0.015019 0.165577
C -1.975498 0.302180 0.662233
C -2.714428 0.677387 -0.646024
C -0.529756 -1.702777 0.144132
C 0.762367 -2.256247 -0.092399
C -5.089709 1.096518 -1.251306
C -3.744646 2.862704 -0.128833
C 0.450539 0.563573 0.401818
C 1.971133 -1.405669 -0.082741
C -1.662677 -2.564566 0.108761
C 2.879507 0.889053 0.175469
C 0.910465 -3.642417 -0.347483
C -5.695531 -0.301147 -1.022139
C -4.768042 3.500812 0.829112
C -1.495681 -3.938306 -0.145034
C -0.208956 -4.489851 -0.373385
C 3.647966 1.047146 -0.997257
C 3.215269 1.581593 1.358286
C 4.765524 1.909644 -0.984107
C 4.330369 2.447047 1.363295
C 5.108088 2.612513 0.193933
H -2.595228 -0.373134 1.273546
H -1.793395 1.216052 1.247398
H -2.026614 1.281426 -1.283454
H -2.954733 -0.240269 -1.212152
H -5.877178 1.851402 -1.074758
H -4.781939 1.205849 -2.322066
H -2.730241 2.999615 0.289245
H -3.752432 3.403198 -1.108176
H -2.668632 -2.173209 0.277132
H 1.924846 -4.015995 -0.520551
H -4.959118 -1.106338 -1.203620
H -6.055173 -0.392781 0.017597
H -6.545835 -0.470725 -1.708746
H -5.803082 3.402649 0.453787
H -4.718582 3.014660 1.819045
H -4.557973 4.579534 0.953364
H -2.379216 -4.585911 -0.166574
H -0.092194 -5.559900 -0.569705
H 3.383391 0.491536 -1.901728
H 2.604286 1.454356 2.256949
H 5.366757 2.030695 -1.891605
H 4.590331 2.989902 2.278446
H 5.974691 3.282869 0.201277


