%chk=000240084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240084

0 1
O -5.698832 0.868275 0.397636
O -5.303245 -0.627047 -1.224709
O -1.617665 -0.318401 1.632244
O 2.311004 2.748419 1.816614
N -2.546113 -0.518086 -0.433533
N 1.240630 2.657667 -0.198110
C -3.126234 1.811340 -1.188157
C -1.669616 2.288210 -1.136634
C -3.419682 0.648202 -0.221684
C -1.223147 2.732592 0.260714
C 0.105175 3.503209 0.241048
C -4.863873 0.184685 -0.447185
C -1.673061 -0.938521 0.583140
C 2.249584 2.283040 0.690822
C -0.831759 -2.131971 0.266169
C 3.265963 1.332853 0.126837
C 0.485611 -2.140654 0.750145
C -1.328862 -3.231052 -0.446770
C 4.623761 1.642754 0.282251
C 2.880224 0.143652 -0.504494
C 1.314362 -3.234224 0.488433
C -0.496419 -4.325077 -0.699399
C 0.824630 -4.324596 -0.238282
C 5.595451 0.767863 -0.212057
C 3.856153 -0.730541 -0.991285
C 5.212289 -0.416803 -0.849375
H -3.806370 2.653675 -0.938832
H -3.373395 1.518909 -2.229229
H -1.004444 1.480119 -1.499928
H -1.550705 3.126067 -1.854003
H -3.306941 1.004589 0.850504
H -1.134728 1.848882 0.934516
H -1.996981 3.374734 0.726058
H 0.041992 4.385827 -0.433352
H 0.325228 3.894700 1.267079
H -2.588798 -0.967927 -1.343578
H 1.171197 2.248777 -1.121693
H -6.654602 0.605250 0.300054
H 0.849931 -1.297655 1.345471
H -2.363637 -3.248735 -0.790686
H 4.914052 2.560571 0.798203
H 1.825591 -0.110311 -0.607291
H 2.338557 -3.239252 0.861531
H -0.880379 -5.182238 -1.251404
H 1.470378 -5.179634 -0.438190
H 6.651408 1.007901 -0.094757
H 3.558918 -1.657003 -1.479988
H 5.971199 -1.098035 -1.232365


%chk=000240084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240084

0 1
O -5.356459 1.073931 1.011499
O -5.157090 -0.995358 -0.026541
O -0.456333 -0.010941 0.539813
O 2.812878 3.862755 -0.528222
N -2.477097 -0.646969 -0.409018
N 0.996248 2.548368 0.044282
C -3.240227 1.687966 -1.050945
C -1.855397 2.339273 -1.268649
C -3.222340 0.543995 0.017692
C -1.398356 3.218913 -0.080463
C 0.069782 3.673927 -0.180414
C -4.649926 0.096462 0.320607
C -1.166777 -0.891690 -0.056258
C 2.351177 2.741520 -0.122490
C -0.621889 -2.243948 -0.424792
C 3.276745 1.587889 0.193025
C 0.776701 -2.371262 -0.623377
C -1.451888 -3.390523 -0.549188
C 4.625771 1.715207 -0.228305
C 2.881155 0.424092 0.904045
C 1.335192 -3.620294 -0.964688
C -0.888837 -4.640971 -0.883454
C 0.504370 -4.757761 -1.098655
C 5.562405 0.696395 0.041600
C 3.823144 -0.593892 1.178658
C 5.163760 -0.464101 0.747379
H -3.966451 2.454465 -0.718239
H -3.616655 1.263209 -2.001996
H -1.102232 1.556443 -1.470925
H -1.904273 2.966760 -2.180636
H -2.757844 0.928978 0.943508
H -1.534102 2.675630 0.875492
H -2.041565 4.118939 -0.026270
H 0.279264 4.122166 -1.171499
H 0.278546 4.468973 0.562739
H -3.022531 -1.367862 -0.890232
H 0.597478 1.638370 0.310584
H -6.290952 0.770040 1.171768
H 1.413092 -1.488397 -0.510348
H -2.528564 -3.330480 -0.346789
H 4.908839 2.632114 -0.755916
H 1.851856 0.299873 1.257661
H 2.415160 -3.705065 -1.125770
H -1.533035 -5.522862 -0.966398
H 0.939026 -5.728687 -1.360539
H 6.600765 0.806923 -0.290790
H 3.509799 -1.483485 1.737662
H 5.891466 -1.254034 0.966291


