%chk=000236491.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236491

0 1
O -4.249795 1.858868 -0.000525
O 4.249979 1.858418 -0.000062
O -2.163453 2.666163 -0.000103
O 2.163723 2.665932 -0.000234
N 0.000038 0.743216 -0.000201
C -0.727019 -1.466438 -0.000170
C 0.726865 -1.466513 -0.000149
C -1.139130 -0.081674 -0.000199
C 1.139120 -0.081794 -0.000162
C -2.499416 0.273393 -0.000232
C 2.499440 0.273132 -0.000145
C -1.688847 -2.469077 -0.000161
C 1.688589 -2.469252 -0.000129
C -3.442416 -0.769894 -0.000224
C 3.442331 -0.770250 -0.000124
C -3.044648 -2.110100 -0.000180
C 3.044426 -2.110415 -0.000114
C -2.882634 1.687680 -0.000270
C 2.882803 1.687376 -0.000155
H 0.000092 1.769059 -0.000180
H -1.394248 -3.518433 -0.000129
H 1.393881 -3.518578 -0.000120
H -4.506957 -0.512434 -0.000256
H 4.506899 -0.512898 -0.000110
H -3.803856 -2.891507 -0.000162
H 3.803555 -2.891900 -0.000094
H -4.502571 2.823247 -0.000537
H 4.502850 2.822772 -0.000073


%chk=000236491-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236491

0 1
O -4.248146 1.930816 -0.000358
O 4.248343 1.930374 -0.000121
O -2.039966 2.655193 -0.000338
O 2.040238 2.654983 -0.000156
N 0.000034 0.704911 -0.000200
C -0.730125 -1.483563 -0.000176
C 0.729966 -1.483639 -0.000144
C -1.136485 -0.102664 -0.000205
C 1.136469 -0.102782 -0.000161
C -2.506967 0.271143 -0.000236
C 2.506990 0.270884 -0.000142
C -1.713264 -2.495763 -0.000179
C 1.713001 -2.495940 -0.000106
C -3.471616 -0.770463 -0.000240
C 3.471531 -0.770822 -0.000102
C -3.081473 -2.130594 -0.000211
C 3.081247 -2.130913 -0.000085
C -2.865089 1.699424 -0.000261
C 2.865260 1.699127 -0.000158
H 0.000087 1.731242 -0.000213
H -1.427042 -3.553493 -0.000157
H 1.426670 -3.553641 -0.000092
H -4.530279 -0.495946 -0.000265
H 4.530223 -0.496415 -0.000085
H -3.850374 -2.909635 -0.000212
H 3.850068 -2.910033 -0.000056
H -4.402221 2.913383 -0.000428
H 4.402522 2.912924 -0.000113


