%chk=000218687.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218687

0 1
O 3.547043 -1.739762 0.227760
O 5.594785 -0.018922 0.101217
N -4.943086 0.902192 0.134315
C -0.560264 -0.239427 0.299717
C -0.611308 1.218281 0.669333
C 0.329011 2.040798 -0.224521
C 0.683291 -0.784490 -0.105027
C -1.703364 -1.056914 0.334407
C 1.883737 0.072535 -0.081742
C 1.723536 1.480668 -0.185875
C -3.037932 -0.536891 0.794979
C 0.742216 -2.112194 -0.552134
C -3.831814 0.043102 -0.392855
C -1.612210 -2.396240 -0.081716
C 3.188207 -0.418847 0.047872
C 2.830075 2.329212 -0.241569
C -0.400991 -2.914520 -0.536533
C 4.310055 0.451609 -0.003334
C 4.134115 1.824121 -0.163362
C -5.436875 1.825130 -0.932145
C -6.069595 0.070764 0.653951
H -1.641180 1.623872 0.593099
H -0.319668 1.333684 1.735629
H 0.313178 3.101602 0.093179
H -0.038972 2.031351 -1.273278
H -3.620443 -1.339681 1.289028
H -2.917164 0.242947 1.578039
H 1.678372 -2.517895 -0.940877
H -4.180672 -0.777948 -1.053333
H -3.156275 0.676243 -1.010484
H -2.497406 -3.029481 -0.059208
H 2.688062 3.404621 -0.341705
H -0.344539 -3.944982 -0.883975
H 5.002312 2.478994 -0.210859
H -5.842922 1.328813 -1.825268
H -4.613175 2.486807 -1.244279
H -6.223395 2.471376 -0.509835
H -6.550478 -0.577486 -0.092796
H -6.837736 0.735811 1.080481
H -5.701207 -0.562479 1.476452
H 2.778402 -2.287282 0.545141
H 5.596274 -1.009091 0.237714


%chk=000218687-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218687

0 1
O 3.560139 -1.776605 0.293851
O 5.648766 -0.121643 0.172127
N -5.034552 0.899842 0.098274
C -0.540346 -0.220605 0.315880
C -0.556401 1.255011 0.703004
C 0.351706 2.066668 -0.253779
C 0.705867 -0.769219 -0.130238
C -1.704472 -1.038391 0.358738
C 1.918310 0.094893 -0.109556
C 1.766922 1.514233 -0.214524
C -3.052637 -0.498663 0.818640
C 0.743222 -2.109384 -0.612509
C -3.837258 0.154487 -0.352858
C -1.621387 -2.387124 -0.077005
C 3.230748 -0.419142 0.049060
C 2.903718 2.347725 -0.247618
C -0.415387 -2.913429 -0.581811
C 4.370718 0.426526 0.013417
C 4.210089 1.812664 -0.155213
C -5.583418 1.758329 -0.972382
C -6.075009 0.035524 0.691185
H -1.582338 1.658650 0.685879
H -0.180434 1.377512 1.740601
H 0.351754 3.134298 0.031298
H -0.064164 2.004482 -1.281700
H -3.644894 -1.331077 1.241087
H -2.944562 0.257203 1.616792
H 1.646044 -2.495903 -1.100415
H -4.092412 -0.640027 -1.103349
H -3.171503 0.872689 -0.868910
H -2.519161 -3.015840 -0.036297
H 2.772186 3.431765 -0.337768
H -0.377251 -3.940549 -0.961079
H 5.098567 2.449937 -0.177597
H -5.970597 1.182610 -1.851829
H -4.800357 2.448213 -1.334779
H -6.414728 2.365865 -0.571629
H -6.471194 -0.729917 -0.025445
H -6.922463 0.659345 1.026912
H -5.680078 -0.493303 1.574985
H 2.758057 -2.297280 0.554470
H 5.550187 -1.100369 0.317693


