%chk=000199087.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199087

0 1
O 0.676687 1.262923 0.711992
O 1.812847 3.001746 -0.359829
O 4.048333 -2.515167 1.224416
O 6.473201 1.162275 -0.958275
O 6.431945 -1.553229 0.201360
N -3.534264 2.186036 0.546150
C -0.579235 2.084466 0.687701
C -1.434991 1.634320 1.877162
C -1.310894 1.880565 -0.650582
C -2.808214 2.375428 1.823038
C -2.693127 2.604858 -0.601940
C -4.209948 0.878378 0.389837
C -5.463454 0.971741 -0.527323
C -6.182562 -0.364350 -0.627780
C 1.812054 1.840325 0.123322
C -5.803924 -1.325570 -1.600982
C -7.215199 -0.701815 0.285703
C 2.982853 0.918872 0.147131
C -6.437613 -2.587421 -1.661841
C -7.853011 -1.961651 0.229488
C 4.198276 1.381506 -0.391924
C 2.886257 -0.390470 0.686598
C -7.465027 -2.910474 -0.745143
C 4.022689 -1.219326 0.678542
C 5.342629 0.548231 -0.413909
C 5.266323 -0.771511 0.122816
C 2.832844 -2.983262 1.896658
C 7.664378 0.400404 -1.368586
C 6.407306 -2.876220 -0.461236
H -0.283352 3.147266 0.790103
H -0.914910 1.853699 2.828378
H -1.595205 0.540260 1.824142
H -0.701530 2.279777 -1.481509
H -1.454473 0.796128 -0.821973
H -3.452256 2.040293 2.655644
H -2.634929 3.462613 1.960743
H -3.242542 2.431697 -1.543713
H -2.525564 3.698029 -0.524975
H -3.540915 0.074700 -0.003830
H -4.540350 0.544386 1.391792
H -6.125500 1.750756 -0.107974
H -5.154102 1.313159 -1.533582
H -5.013614 -1.077804 -2.321236
H -7.524456 0.032914 1.040013
H -6.135737 -3.314825 -2.424282
H -8.653423 -2.201388 0.938986
H 4.266344 2.389147 -0.810236
H 1.933991 -0.718540 1.105760
H -7.960823 -3.886601 -0.793270
H 2.562785 -2.317566 2.738334
H 1.982879 -3.053507 1.190747
H 3.084515 -3.983914 2.277782
H 8.166991 -0.058248 -0.503510
H 7.403593 -0.384769 -2.103369
H 8.310295 1.154644 -1.845038
H 5.648138 -3.526440 0.001659
H 6.203669 -2.760763 -1.544241
H 7.416219 -3.289311 -0.309511


%chk=000199087-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199087

0 1
O 0.657067 1.222088 0.628702
O 1.777033 2.961544 -0.458334
O 4.076120 -2.471810 1.310662
O 6.469306 1.132788 -1.011373
O 6.466249 -1.491437 0.274955
N -3.550773 2.190869 0.643920
C -0.586844 2.060022 0.674717
C -1.407986 1.558961 1.868254
C -1.368652 1.934176 -0.645078
C -2.775943 2.308325 1.903147
C -2.741456 2.664069 -0.507448
C -4.221534 0.885264 0.442313
C -5.485601 1.006340 -0.455872
C -6.180043 -0.335715 -0.626530
C 1.786420 1.804555 0.034371
C -5.731995 -1.265753 -1.601281
C -7.259207 -0.711039 0.214972
C 2.966611 0.896353 0.077371
C -6.342498 -2.533207 -1.732756
C -7.874606 -1.977266 0.087600
C 4.177174 1.354235 -0.478434
C 2.887862 -0.392699 0.665891
C -7.417053 -2.894423 -0.886882
C 4.036311 -1.204439 0.702309
C 5.330869 0.536036 -0.460700
C 5.276649 -0.757871 0.139150
C 2.866933 -2.920516 2.007627
C 7.558426 0.318822 -1.579724
C 6.493151 -2.868653 -0.266243
H -0.271103 3.112337 0.819086
H -0.854025 1.726042 2.810869
H -1.577328 0.469840 1.765502
H -0.787291 2.374497 -1.474943
H -1.526860 0.861711 -0.869860
H -3.392407 1.933533 2.739729
H -2.591349 3.386148 2.090128
H -3.323158 2.546974 -1.438412
H -2.562248 3.750137 -0.376255
H -3.552092 0.104012 0.006549
H -4.535896 0.507498 1.433798
H -6.159247 1.748558 0.008726
H -5.190901 1.408212 -1.444217
H -4.905794 -0.989192 -2.269044
H -7.623160 -0.001909 0.969313
H -5.985943 -3.235540 -2.495127
H -8.711385 -2.246128 0.742619
H 4.233380 2.345532 -0.935775
H 1.938767 -0.716914 1.095303
H -7.895073 -3.875189 -0.989519
H 2.587606 -2.214861 2.812846
H 2.018480 -3.040045 1.306732
H 3.132374 -3.895964 2.441142
H 8.145639 -0.170153 -0.787600
H 7.162171 -0.446421 -2.274858
H 8.174037 1.042629 -2.136551
H 5.749577 -3.500396 0.244141
H 6.300917 -2.855791 -1.357332
H 7.513219 -3.231378 -0.067894


