%chk=000213582.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213582

0 1
O 0.722709 3.142053 -0.100064
O 2.526214 1.035360 0.639458
O 2.824397 -1.474085 1.067165
N 1.155130 -2.972858 0.900375
C -1.478338 0.263816 -0.236917
C 0.713265 -0.574166 0.425859
C -0.648774 -0.791895 0.117642
C -2.923231 0.014128 -0.576475
C -0.962263 1.577190 -0.292851
C 0.375341 1.817542 0.001830
C 1.236008 0.728815 0.367445
C 1.625844 -1.673895 0.812264
C -3.661919 -0.646280 0.552903
C 2.094565 3.520799 0.186762
C -4.554093 -1.618669 0.379101
H -1.059218 -1.799672 0.159502
H -3.443789 0.966083 -0.827452
H -2.980271 -0.591749 -1.507741
H -1.601205 2.418037 -0.565758
H -3.420302 -0.254090 1.543533
H 3.086861 0.186488 0.893284
H 2.776249 3.025358 -0.512520
H 2.346546 3.268991 1.222214
H 2.061213 4.604207 0.026361
H 0.200403 -3.228219 0.720843
H 1.788170 -3.712684 1.168256
H -5.096520 -2.074328 1.194977
H -4.819792 -2.032075 -0.582396


%chk=000213582-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213582

0 1
O 0.982941 3.060207 -0.551281
O 2.685853 0.843193 0.237053
O 2.862675 -1.562359 0.880395
N 1.037700 -2.945372 1.091587
C -1.512559 0.342575 -0.185383
C 0.694172 -0.595147 0.387926
C -0.710328 -0.740767 0.215402
C -3.015294 0.172084 -0.422225
C -0.889968 1.600553 -0.393669
C 0.496650 1.786793 -0.235504
C 1.319904 0.675655 0.139767
C 1.576082 -1.717571 0.793943
C -3.697117 -0.733884 0.585613
C 2.066439 3.648523 0.267906
C -4.393949 -1.857163 0.277605
H -1.202557 -1.706411 0.381638
H -3.492123 1.172454 -0.391460
H -3.191505 -0.225116 -1.442187
H -1.479382 2.474470 -0.693075
H -3.603839 -0.427600 1.639044
H 3.074232 -0.090071 0.508178
H 2.987691 3.052441 0.191083
H 1.751425 3.717602 1.326823
H 2.206379 4.657776 -0.148251
H 0.038875 -3.131595 1.064354
H 1.679604 -3.689346 1.362175
H -4.882709 -2.461276 1.050351
H -4.506095 -2.196445 -0.760205


