%chk=000264837.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264837

0 1
O 5.100104 1.080989 0.041196
O -5.599921 -0.048195 0.565759
O 3.539460 0.263670 1.456369
O -4.716887 1.337486 -0.991188
O 0.812155 -3.558626 0.813220
N -0.239705 -1.008278 0.446298
N 0.934049 -1.224434 1.122950
N 2.838925 -2.630575 1.353242
C 0.977622 1.976902 0.224706
C -0.252002 1.457536 0.986756
C 1.974793 2.672119 1.162842
C -0.779855 0.176471 0.387090
C -2.087731 0.256409 -0.365735
C 3.415275 2.581445 0.651258
C -3.272486 0.152046 0.600582
C 3.963605 1.188130 0.790852
C -4.550145 0.571603 -0.070750
C 5.796006 -0.210596 -0.010734
C -6.954449 0.199852 0.071698
C 5.115105 -1.110847 -1.015846
C 1.454103 -2.562509 1.066129
C -7.197703 -0.608496 -1.185404
H 1.474699 1.144651 -0.313585
H 0.654921 2.672531 -0.574272
H -1.040875 2.236296 1.000762
H -0.011349 1.284321 2.058226
H 1.922690 2.225878 2.179642
H 1.694993 3.736521 1.289494
H -2.152481 -0.557236 -1.124232
H -2.136956 1.204322 -0.944579
H 4.072641 3.283239 1.211844
H 3.486867 2.913597 -0.408556
H -3.358282 -0.888433 0.993099
H -3.116358 0.784263 1.501096
H 1.575951 -0.439618 1.343860
H 5.821911 -0.638580 1.006071
H 6.804256 0.116026 -0.327460
H -7.076166 1.285407 -0.089941
H -7.555070 -0.142286 0.934231
H 4.129912 -1.454251 -0.662169
H 4.952559 -0.600910 -1.974660
H 5.710742 -2.010256 -1.218336
H -6.593668 -0.230289 -2.024116
H -6.928045 -1.663502 -1.044156
H -8.249157 -0.569534 -1.492065
H 3.335568 -1.838237 1.749397
H 3.191977 -3.534523 1.639413


%chk=000264837-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000264837

0 1
O 5.286047 1.246595 0.223262
O -5.782123 0.059047 0.679623
O 3.489322 0.287093 1.346335
O -4.819913 1.459212 -0.921336
O 0.967667 -3.763824 0.395921
N -0.327771 -1.243987 0.205654
N 0.924785 -1.417723 0.775477
N 2.836466 -2.647693 1.258481
C 0.942433 1.765115 0.110796
C -0.240630 1.164454 0.932029
C 1.876464 2.654965 0.975634
C -0.882666 -0.046873 0.263961
C -2.244982 0.095721 -0.383362
C 3.346613 2.620699 0.511247
C -3.383935 0.221729 0.666505
C 4.006331 1.268528 0.746715
C -4.696148 0.655845 0.033910
C 6.079942 -0.021982 0.353688
C -7.144271 0.417738 0.170043
C 5.763493 -0.982489 -0.795225
C 1.526386 -2.702044 0.773657
C -7.539035 -0.487459 -1.000035
H 1.528365 0.938430 -0.332059
H 0.540697 2.342417 -0.743231
H -1.002574 1.945714 1.108187
H 0.141888 0.873081 1.934412
H 1.835918 2.312955 2.027709
H 1.523315 3.703154 0.970366
H -2.427260 -0.787839 -1.018572
H -2.273006 0.992714 -1.032560
H 3.953043 3.380680 1.042076
H 3.441235 2.862118 -0.564703
H -3.527871 -0.725227 1.211410
H -3.118770 0.991634 1.420185
H 1.461695 -0.634935 1.175822
H 5.862705 -0.470993 1.339165
H 7.122243 0.331942 0.323146
H -7.139111 1.480978 -0.128648
H -7.794543 0.269421 1.047017
H 4.724684 -1.350037 -0.742962
H 5.922824 -0.492485 -1.770850
H 6.437163 -1.857631 -0.738853
H -6.880280 -0.314807 -1.867337
H -7.480757 -1.551196 -0.711994
H -8.578714 -0.268426 -1.307219
H 3.304550 -1.767260 1.486084
H 3.319683 -3.535568 1.360728


