%chk=000207493.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207493

0 1
O -6.392110 0.854929 -0.132554
O -0.268864 1.273158 -2.171909
N -3.693373 -0.074240 0.020702
C 0.154111 -0.287135 -0.363999
C -1.245049 0.085877 0.187429
C 0.369463 -1.818411 -0.315164
C -2.408602 -0.616490 -0.534869
C 0.335242 -2.413664 1.112562
C 1.280688 0.445532 0.366754
C 0.179260 0.203434 -1.834359
C -4.019528 1.259665 -0.585302
C -4.825508 -1.028217 -0.225058
C 2.637839 0.433122 -0.136715
C -0.332270 -3.796540 1.096191
C 1.742453 -2.514736 1.711245
C 1.010436 1.149073 1.520837
C -5.308333 1.788979 0.060125
C -6.097060 -0.445817 0.414514
C 3.624092 1.217126 0.523276
C 2.011108 1.903699 2.195180
C 3.063630 -0.340229 -1.264968
C 3.286581 1.954933 1.701843
C 4.963036 1.263735 0.016506
C 4.353478 -0.288445 -1.731258
C 5.319478 0.536928 -1.090011
H -1.303834 -0.156007 1.269934
H -1.376049 1.188525 0.106457
H 1.333918 -2.081637 -0.796535
H -0.404899 -2.307842 -0.937349
H -2.326121 -0.486896 -1.635180
H -2.363895 -1.709429 -0.333967
H -0.276889 -1.740896 1.767538
H 0.627447 -0.490048 -2.564447
H -4.139905 1.216160 -1.689510
H -3.174907 1.954135 -0.379802
H -4.577919 -1.999170 0.253132
H -5.004026 -1.222470 -1.304281
H -1.370838 -3.740929 0.755640
H -0.344442 -4.238065 2.099474
H 0.198847 -4.497340 0.443688
H 2.240134 -1.536965 1.733865
H 1.710299 -2.885857 2.741075
H 2.384263 -3.193410 1.140371
H 0.011121 1.159192 1.960282
H -5.181472 1.971129 1.141661
H -5.686080 2.696245 -0.442381
H -6.999360 -1.024435 0.151931
H -5.998635 -0.359763 1.511167
H 1.734464 2.443962 3.099914
H 2.352127 -1.013298 -1.748260
H 4.058119 2.546199 2.191946
H 5.691088 1.890406 0.530755
H 4.658745 -0.879964 -2.593138
H 6.332701 0.572002 -1.486275


%chk=000207493-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207493

0 1
O -6.482933 0.772132 -0.040777
O 0.032136 1.336448 -2.290427
N -3.698112 -0.070045 0.016174
C 0.194842 -0.246150 -0.380184
C -1.215546 0.163280 0.180527
C 0.399416 -1.803236 -0.294024
C -2.398959 -0.562970 -0.495483
C 0.130480 -2.516281 1.062654
C 1.337809 0.549484 0.306641
C 0.124800 0.157539 -1.881749
C -4.096806 1.248792 -0.546282
C -4.800703 -1.050608 -0.165335
C 2.699356 0.489582 -0.200116
C -0.050497 -4.034412 0.808401
C 1.253232 -2.288176 2.104063
C 1.086695 1.333175 1.440792
C -5.386277 1.740655 0.130598
C -6.079260 -0.530906 0.512326
C 3.754171 1.186584 0.517333
C 2.122825 2.029863 2.133598
C 3.077784 -0.211559 -1.397587
C 3.439152 1.947455 1.689683
C 5.105128 1.128053 0.037613
C 4.398757 -0.245149 -1.848152
C 5.430847 0.422890 -1.120344
H -1.277345 -0.038790 1.264443
H -1.320699 1.254690 0.038980
H 1.430726 -2.056223 -0.603890
H -0.268061 -2.261478 -1.054679
H -2.333736 -0.463431 -1.610377
H -2.345665 -1.643992 -0.269088
H -0.818923 -2.133715 1.489654
H 0.103011 -0.700043 -2.608065
H -4.264795 1.178548 -1.650402
H -3.292261 1.986145 -0.375075
H -4.507087 -2.012250 0.296996
H -5.013741 -1.236577 -1.248308
H -0.899458 -4.236115 0.127497
H -0.236833 -4.574970 1.754823
H 0.860399 -4.465635 0.349747
H 1.381303 -1.222262 2.352943
H 1.029308 -2.835146 3.039188
H 2.221527 -2.661652 1.718296
H 0.070602 1.419574 1.831937
H -5.197800 1.904771 1.213554
H -5.744904 2.675562 -0.330564
H -6.930981 -1.206560 0.328233
H -5.905270 -0.436401 1.606156
H 1.870088 2.623434 3.018835
H 2.318535 -0.719879 -1.999487
H 4.245920 2.469495 2.217560
H 5.881429 1.661244 0.599612
H 4.645569 -0.782474 -2.770348
H 6.465006 0.387495 -1.479414


