%chk=000225423.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225423

0 1
O -4.658705 3.099496 1.093785
O -5.823026 -1.244634 -0.344197
N 4.734153 -0.156795 -0.083345
N -0.893035 -0.573929 -0.143275
N -3.514118 -1.314543 -0.430810
C 3.343573 -0.256885 -0.077660
C 5.536762 -0.464075 -1.293746
C 5.502036 0.167646 1.145933
C 2.599846 0.041676 1.093216
C 1.207243 -0.024249 1.102727
C 2.638225 -0.648238 -1.248947
C 0.520573 -0.388667 -0.081777
C 1.254506 -0.719594 -1.237986
C 5.865831 -1.953506 -1.399334
C 5.698110 1.676389 1.298117
C 0.464610 0.271147 2.365203
C -1.755992 0.381029 -0.002171
C -3.224854 0.015026 -0.041472
C -1.459114 1.821905 0.195329
C -4.163140 0.926673 0.296370
C -2.402870 2.711774 0.509430
C -3.839075 2.308126 0.677484
C -4.815062 -1.880270 -0.556387
C -4.792482 -3.321666 -0.977839
H 4.983033 -0.127396 -2.201661
H 6.473522 0.137393 -1.263424
H 4.975537 -0.243004 2.039574
H 6.488381 -0.347227 1.105770
H 3.118500 0.325202 2.006101
H 3.176788 -0.898110 -2.158820
H 0.720586 -1.027975 -2.138947
H 6.467317 -2.300966 -0.551562
H 4.955488 -2.567742 -1.413937
H 6.426515 -2.170803 -2.315055
H 6.263454 2.100986 0.460411
H 4.736732 2.206218 1.330437
H 6.239907 1.914016 2.219986
H -0.376036 -0.421724 2.520463
H 1.103378 0.192495 3.255408
H 0.049350 1.289573 2.360050
H -0.411234 2.106608 0.055682
H -5.237040 0.685043 0.301992
H -2.201290 3.773437 0.657781
H -2.697955 -1.918553 -0.614183
H -5.825416 -3.702830 -1.058059
H -4.271264 -3.965019 -0.255417
H -4.322547 -3.467259 -1.960241


%chk=000225423-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225423

0 1
O -4.882644 3.219590 1.058803
O -5.776998 -1.461308 -0.299456
N 4.722752 -0.260154 -0.095368
N -0.955614 -0.413174 -0.299958
N -3.448255 -1.216313 -0.414110
C 3.327548 -0.306533 -0.112244
C 5.524859 -0.586091 -1.294051
C 5.474530 0.126182 1.117552
C 2.548735 0.084565 1.024403
C 1.139457 0.097086 1.029866
C 2.607032 -0.789237 -1.257068
C 0.436771 -0.325278 -0.157192
C 1.211405 -0.823272 -1.250459
C 5.850912 -2.091957 -1.430337
C 5.636658 1.655702 1.281792
C 0.427489 0.427410 2.334094
C -1.841600 0.519378 0.058188
C -3.276062 0.115678 -0.006307
C -1.541630 1.909955 0.400898
C -4.283508 1.000034 0.339724
C -2.542849 2.797109 0.702913
C -3.970041 2.379434 0.727538
C -4.635048 -1.940354 -0.556138
C -4.424042 -3.371087 -1.049555
H 5.001757 -0.222188 -2.196983
H 6.467338 -0.010204 -1.233193
H 4.985517 -0.306001 2.010150
H 6.472462 -0.346197 1.056806
H 3.051442 0.384766 1.949325
H 3.136724 -1.162662 -2.137125
H 0.668297 -1.210963 -2.118534
H 6.418237 -2.452801 -0.553435
H 4.929569 -2.694732 -1.508210
H 6.463235 -2.273721 -2.332844
H 6.175273 2.088528 0.419671
H 4.654851 2.154765 1.352737
H 6.211735 1.887031 2.197307
H -0.549623 -0.079139 2.407372
H 1.042731 0.108333 3.193625
H 0.235013 1.509737 2.451385
H -0.496715 2.232908 0.341909
H -5.330094 0.690952 0.325115
H -2.341508 3.852972 0.916079
H -2.540727 -1.662471 -0.632584
H -5.401156 -3.871109 -1.110207
H -3.771187 -3.938569 -0.360872
H -3.953327 -3.380404 -2.050023


