%chk=000295985.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295985

0 1
O 3.322728 -1.250135 -1.649418
O -4.984117 -0.361319 0.194471
O -4.173681 -2.271725 -0.766559
N 3.197428 -1.406046 0.581839
C 1.146488 0.975886 0.116404
C -0.072443 0.251188 -0.544972
C 2.485571 0.782169 -0.651981
C -0.187846 0.644670 -2.040475
C 2.290816 1.168224 -2.142374
C 0.817104 2.471725 0.287660
C 1.122837 0.426122 -2.796663
C -1.390546 0.669739 0.125493
C 0.084718 -1.273043 -0.403180
C -0.314499 2.648587 1.301827
C 3.623593 1.654251 -0.088475
C -1.499551 1.785581 0.974215
C 3.025552 -0.674295 -0.605300
C -2.547138 -0.080163 -0.158670
C -2.739088 2.123230 1.550860
C -3.757577 0.280323 0.423024
C -3.883093 1.377389 1.289506
C 3.803268 -2.767892 0.450363
C 3.057572 -0.908578 1.969947
C 5.329731 -2.729806 0.394150
C 4.361025 -0.374180 2.563692
C -5.109132 -1.615055 -0.392667
C -6.564424 -1.926683 -0.441951
H 1.270241 0.542929 1.147095
H -0.495774 1.705510 -2.117874
H -0.996795 0.060670 -2.519080
H 3.220529 0.941804 -2.704894
H 2.135552 2.259886 -2.217556
H 0.526277 2.909777 -0.688086
H 1.704865 3.041082 0.621609
H 1.363618 -0.659055 -2.846070
H 1.012071 0.755316 -3.846744
H 0.877864 -1.662984 -1.055007
H 0.313821 -1.568978 0.624178
H -0.827447 -1.810494 -0.697700
H -0.613012 3.716371 1.340313
H 0.043432 2.401374 2.323723
H 3.825366 1.454843 0.972760
H 4.559115 1.479046 -0.635849
H 3.395836 2.723132 -0.180611
H -2.486660 -0.950832 -0.821303
H -2.806964 2.985704 2.213737
H -4.846252 1.625219 1.726355
H 3.456965 -3.392429 1.300634
H 3.407736 -3.232714 -0.486973
H 2.265550 -0.115004 2.001670
H 2.675050 -1.745688 2.600302
H 5.759500 -2.240526 1.278756
H 5.746682 -3.739728 0.325877
H 5.670404 -2.173357 -0.490984
H 4.256719 -0.171975 3.634189
H 5.185503 -1.093479 2.435261
H 4.671851 0.560109 2.071025
H -7.186266 -1.115180 -0.028563
H -6.785294 -2.842678 0.129274
H -6.889278 -2.102535 -1.480131


%chk=000295985-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295985

0 1
O 3.280296 -1.399899 -1.586004
O -5.159820 -0.334556 0.144382
O -4.462784 -2.032733 -1.335492
N 3.473256 -1.251417 0.694993
C 1.099394 0.929188 0.148913
C -0.141577 0.184357 -0.493311
C 2.464967 0.735813 -0.646920
C -0.259337 0.529741 -2.017041
C 2.225860 1.039345 -2.162310
C 0.772111 2.427127 0.389007
C 1.045260 0.279103 -2.796823
C -1.470873 0.629808 0.181613
C 0.020956 -1.355402 -0.306041
C -0.341039 2.557077 1.443171
C 3.589813 1.723385 -0.183502
C -1.562723 1.730386 1.078803
C 3.077489 -0.706788 -0.530494
C -2.659286 -0.076711 -0.158498
C -2.822308 2.078493 1.632485
C -3.894940 0.293594 0.406316
C -3.991957 1.370057 1.314100
C 4.024931 -2.637141 0.643765
C 3.389229 -0.650821 2.045862
C 5.482875 -2.714161 0.142301
C 4.763228 -0.419224 2.714536
C -5.361896 -1.442921 -0.698114
C -6.831154 -1.810464 -0.711537
H 1.214150 0.483312 1.157210
H -0.552423 1.594391 -2.121899
H -1.086923 -0.061530 -2.453788
H 3.153399 0.814128 -2.718302
H 2.039509 2.129527 -2.255363
H 0.456528 2.915604 -0.552676
H 1.664013 2.967499 0.750325
H 1.287154 -0.795896 -2.840044
H 0.914555 0.620636 -3.842693
H 0.914845 -1.736531 -0.822449
H 0.100831 -1.611197 0.767319
H -0.843563 -1.904775 -0.715903
H -0.633412 3.617622 1.568470
H 0.055525 2.227397 2.427495
H 3.721845 1.777816 0.910594
H 4.554500 1.411169 -0.624626
H 3.381531 2.744722 -0.547422
H -2.629712 -0.909209 -0.860410
H -2.882143 2.930065 2.321334
H -4.965788 1.634892 1.735670
H 3.940665 -3.060657 1.662506
H 3.384937 -3.230102 -0.033667
H 2.855101 0.305349 1.992546
H 2.779260 -1.320035 2.688505
H 6.167019 -2.129578 0.781788
H 5.824680 -3.766172 0.140778
H 5.541000 -2.330182 -0.888816
H 4.619872 0.045691 3.707768
H 5.311912 -1.365323 2.863246
H 5.392579 0.251122 2.102919
H -7.424831 -1.123018 -0.093239
H -6.950414 -2.843231 -0.339480
H -7.200074 -1.793442 -1.751758


