%chk=000245084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245084

0 1
O 4.993303 3.112723 -0.313685
N -5.851886 -0.122266 0.380164
N 1.602700 -0.395318 0.067075
N 3.652330 -2.263250 0.113110
C -7.117290 0.666247 0.289121
C -3.389495 -0.201487 0.338176
C -4.619578 0.722133 0.349806
C -2.094090 0.607392 0.201512
C -8.295835 -0.319099 0.115384
C -0.866643 -0.312816 0.198225
C -8.224445 -1.067163 -1.222557
C 0.424900 0.504931 0.053626
C -7.366460 1.567087 1.513431
C -9.399198 -2.026501 -1.397760
C 2.898420 0.062330 -0.017869
C 3.981938 -0.921648 0.007151
C 3.215554 1.421592 -0.125508
C 5.332294 -0.473395 -0.077614
C 4.570729 1.807247 -0.206022
C 5.626959 0.902564 -0.184643
C 6.360036 -1.479080 -0.048949
C 6.019971 -2.800657 0.055928
C 4.632232 -3.159367 0.136005
C 3.998783 4.163288 -0.350649
H -7.045655 1.313456 -0.624090
H -3.482948 -0.924889 -0.498212
H -3.362690 -0.814801 1.258995
H -4.642373 1.333717 -0.579365
H -4.555822 1.434825 1.200287
H -2.121614 1.203872 -0.731941
H -2.016589 1.338827 1.029685
H -9.248991 0.239087 0.181648
H -8.316133 -1.045240 0.949575
H -5.856527 -0.708623 1.220094
H -0.949920 -1.047754 -0.628270
H -0.840252 -0.909534 1.132451
H -8.200484 -0.343100 -2.059476
H -7.265811 -1.623663 -1.283289
H 0.511359 1.243143 0.885386
H 0.411356 1.086057 -0.898488
H -8.290622 2.143548 1.399050
H -6.554791 2.286990 1.657131
H -7.460088 0.986782 2.436706
H 1.432363 -1.399620 0.138773
H -9.421424 -2.785200 -0.607474
H -10.359720 -1.500321 -1.375484
H -9.336243 -2.554843 -2.355727
H 2.436693 2.169721 -0.147999
H 6.650899 1.251993 -0.249516
H 7.399629 -1.160249 -0.112482
H 6.771685 -3.586055 0.080156
H 4.346130 -4.212650 0.220069
H 4.624907 5.060845 -0.438529
H 3.424820 4.175284 0.580068
H 3.355928 4.046507 -1.227590


%chk=000245084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245084

0 1
O 5.174195 3.143566 -0.152824
N -5.892556 -0.014620 0.424383
N 1.624034 -0.297721 0.024784
N 3.519412 -2.223621 -0.017948
C -7.190755 0.687630 0.248030
C -3.412569 -0.108488 0.280479
C -4.663578 0.794012 0.292651
C -2.095352 0.690522 0.168345
C -8.325002 -0.359708 0.117324
C -0.845507 -0.215990 0.148039
C -8.211736 -1.243924 -1.143550
C 0.464680 0.590180 0.056202
C -7.510955 1.715828 1.369473
C -9.296820 -2.339844 -1.207556
C 2.933987 0.122264 -0.029758
C 3.955175 -0.913575 -0.050779
C 3.327638 1.478320 -0.064404
C 5.350105 -0.538990 -0.103314
C 4.715553 1.814502 -0.116489
C 5.720810 0.835486 -0.135363
C 6.297999 -1.618728 -0.120372
C 5.850374 -2.941848 -0.087125
C 4.444698 -3.204630 -0.036129
C 4.182686 4.219348 -0.141773
H -7.118106 1.236783 -0.714779
H -3.502644 -0.821988 -0.561258
H -3.392025 -0.717394 1.209485
H -4.725794 1.346318 -0.666916
H -4.540870 1.565746 1.095013
H -2.117945 1.306924 -0.754499
H -2.021299 1.401063 1.018198
H -9.300503 0.168252 0.116210
H -8.322024 -1.004449 1.023574
H -5.888346 -0.575828 1.289512
H -0.907369 -0.911764 -0.713190
H -0.825484 -0.840045 1.064539
H -8.282806 -0.598754 -2.043617
H -7.202563 -1.696194 -1.163014
H 0.533239 1.280565 0.926549
H 0.441582 1.229085 -0.855164
H -8.438488 2.275168 1.143501
H -6.694578 2.451671 1.489916
H -7.654276 1.200358 2.339470
H 1.508056 -1.317542 0.040253
H -9.225053 -3.020375 -0.337489
H -10.313029 -1.900618 -1.204217
H -9.197947 -2.952665 -2.122631
H 2.567305 2.262629 -0.051539
H 6.770001 1.141486 -0.175509
H 7.369181 -1.389340 -0.159863
H 6.555986 -3.778801 -0.099593
H 4.069964 -4.234281 -0.009741
H 4.770610 5.148622 -0.177012
H 3.573408 4.201152 0.783010
H 3.517605 4.167843 -1.025925


