%chk=000233617.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233617

0 1
O 1.893000 -0.149726 2.864240
N -0.202848 -0.808870 0.004104
N -0.210195 -0.937438 2.310700
N -2.166080 -1.796609 1.092512
C 1.143339 -0.313249 0.445862
C 2.264304 -1.185080 -0.101549
C 1.343306 1.123563 -0.015080
C 1.086369 -0.422066 2.013446
C -0.909101 -1.162563 1.065560
C 3.519675 -1.178508 0.526071
C 0.826438 1.525929 -1.256080
C 2.065578 -1.960527 -1.251880
C 2.073204 2.033895 0.761995
C -2.955887 -1.787323 -0.173923
C 4.561583 -1.953041 0.011877
C 1.023218 2.834584 -1.704403
C 3.112899 -2.734125 -1.761766
C 2.266885 3.341293 0.307803
C -3.798339 -0.543335 -0.315515
C 4.360536 -2.733241 -1.131854
C 1.741104 3.745429 -0.923105
C -5.163551 -0.576826 0.000869
C -3.212926 0.651479 -0.758571
C -5.938351 0.579748 -0.127426
C -3.990769 1.805432 -0.881925
C -5.353510 1.771379 -0.567436
H -0.528521 -1.209286 3.229486
H 3.686337 -0.570592 1.419086
H 0.274102 0.813484 -1.872022
H 1.094442 -1.961762 -1.751027
H 2.499483 1.731032 1.721875
H -2.739201 -1.569850 1.912815
H -2.269411 -1.901320 -1.050016
H -3.583246 -2.709956 -0.156571
H 5.532875 -1.946896 0.503720
H 0.619847 3.142674 -2.667275
H 2.953541 -3.337037 -2.653895
H 2.832504 4.045009 0.916492
H 5.174105 -3.335942 -1.530454
H 1.893844 4.764054 -1.273800
H -5.626135 -1.501080 0.341662
H -2.147608 0.679394 -1.003934
H -6.999351 0.551543 0.115343
H -3.533124 2.732982 -1.223929
H -5.958065 2.671345 -0.666084


%chk=000233617-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233617

0 1
O 2.071688 -0.101946 2.917150
N -0.129170 -0.692490 0.042898
N -0.110344 -0.800174 2.341917
N -2.120360 -1.438361 1.156834
C 1.236451 -0.265152 0.491448
C 2.322240 -1.222970 -0.067745
C 1.515474 1.186976 0.020249
C 1.189395 -0.351911 2.060021
C -0.822750 -0.980817 1.126428
C 3.625040 -1.256821 0.490238
C 0.887638 1.655967 -1.161148
C 2.025172 -2.038745 -1.186886
C 2.421438 2.033005 0.706717
C -2.902661 -1.597384 -0.086726
C 4.613217 -2.099786 -0.064489
C 1.165018 2.951042 -1.650897
C 3.018100 -2.876459 -1.742362
C 2.691795 3.330631 0.216164
C -3.941285 -0.497917 -0.293357
C 4.316410 -2.910593 -1.184377
C 2.068791 3.794908 -0.964518
C -5.317196 -0.816604 -0.397204
C -3.538368 0.860331 -0.390725
C -6.280110 0.200987 -0.594609
C -4.498052 1.876744 -0.584789
C -5.872373 1.550589 -0.687326
H -0.441219 -0.987802 3.288753
H 3.861429 -0.641089 1.363889
H 0.183318 0.998258 -1.678888
H 1.014678 -2.009530 -1.604246
H 2.903069 1.687482 1.627065
H -2.625338 -1.446933 2.042719
H -2.163700 -1.594873 -0.907254
H -3.395847 -2.587361 -0.074863
H 5.615384 -2.121983 0.378623
H 0.676243 3.300514 -2.567754
H 2.777428 -3.501770 -2.609978
H 3.390554 3.977913 0.758438
H 5.086440 -3.560683 -1.615264
H 2.284092 4.800178 -1.344320
H -5.638170 -1.863960 -0.326848
H -2.473360 1.112694 -0.321144
H -7.341743 -0.058598 -0.674554
H -4.176364 2.921439 -0.661746
H -6.615789 2.341054 -0.839534


