%chk=000213413.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213413

0 1
O 0.613451 -1.406941 -0.339390
O -1.963861 -0.550327 -0.560887
N 3.313969 1.833999 -0.416872
C 2.763150 -0.546478 -0.689891
C 2.558588 0.694289 0.197836
C 2.023000 -1.760997 -0.142846
C 4.719190 1.881458 0.086310
C 2.624515 3.131265 -0.152679
C -0.336937 -2.260319 0.146257
C -1.666897 -1.759146 0.075708
C -1.503156 0.627422 0.030358
C -0.112449 -3.535722 0.675056
C -1.523450 1.745316 -0.841039
C -2.743212 -2.522486 0.518400
C -1.203873 -4.298024 1.114150
C -2.505584 -3.803648 1.036672
C -1.114811 0.727368 1.367300
C -1.146944 2.981157 -0.310338
C -1.941787 1.596403 -2.263601
C -0.739884 1.981964 1.862922
C -0.756992 3.101797 1.031735
H 2.400143 -0.312995 -1.716076
H 3.838955 -0.781078 -0.799812
H 2.858031 0.481566 1.244079
H 1.467129 0.928732 0.227450
H 2.198269 -1.932021 0.931768
H 2.230535 -2.676217 -0.722468
H 5.216098 0.925109 -0.138612
H 4.820317 2.079497 1.163192
H 5.265309 2.666246 -0.461516
H 3.161202 3.935279 -0.680010
H 2.540907 3.405940 0.908420
H 1.606284 3.086774 -0.577919
H 0.889436 -3.947693 0.738399
H -3.753033 -2.118221 0.449876
H -1.025325 -5.293812 1.520070
H -3.343281 -4.407436 1.378699
H -1.106522 -0.148167 2.011029
H -1.156488 3.863754 -0.948870
H -1.344861 2.222074 -2.938797
H -1.836346 0.552626 -2.605766
H -2.998331 1.869851 -2.395185
H -0.439443 2.077992 2.904774
H -0.472111 4.075548 1.422212


%chk=000213413-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213413

0 1
O 0.605267 -1.334184 -0.250708
O -2.026303 -0.571383 -0.579652
N 3.421569 1.872712 -0.434883
C 2.862734 -0.570657 -0.666672
C 2.683648 0.728522 0.146753
C 2.024819 -1.725828 -0.116931
C 4.886831 1.755077 -0.304644
C 2.930455 3.167720 0.080169
C -0.367615 -2.222195 0.209497
C -1.721230 -1.790507 0.072683
C -1.665221 0.663598 0.023573
C -0.107604 -3.493766 0.776302
C -1.673641 1.786545 -0.847764
C -2.781201 -2.623820 0.469690
C -1.179503 -4.323715 1.181170
C -2.515910 -3.897831 1.026046
C -1.379102 0.784347 1.400176
C -1.379759 3.048904 -0.280065
C -1.980555 1.610179 -2.319765
C -1.087709 2.058984 1.935875
C -1.087575 3.196067 1.097440
H 2.581697 -0.373299 -1.717059
H 3.921203 -0.898043 -0.662483
H 2.984600 0.540055 1.214070
H 1.608986 0.982694 0.156337
H 2.252275 -1.914564 0.953737
H 2.201622 -2.657119 -0.692685
H 5.250892 0.845640 -0.813091
H 5.231114 1.718091 0.762299
H 5.370284 2.622748 -0.788298
H 3.427743 3.994885 -0.458818
H 3.116742 3.310283 1.176237
H 1.842677 3.245960 -0.090840
H 0.921176 -3.846774 0.892569
H -3.804254 -2.259995 0.332459
H -0.962256 -5.306802 1.612800
H -3.344462 -4.543716 1.333167
H -1.389785 -0.102177 2.042635
H -1.379895 3.929576 -0.933760
H -1.886743 2.566646 -2.861808
H -1.295843 0.873597 -2.777897
H -3.004039 1.220205 -2.471563
H -0.867003 2.158390 3.004505
H -0.866229 4.186647 1.509295


