%chk=000217200.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217200

0 1
O 1.013292 0.670731 -0.000224
O -0.456104 -3.179339 0.000335
O -5.042567 -1.063069 -0.000501
O -5.215617 1.093879 0.000455
N -4.568529 0.059551 -0.000011
N 4.337253 -0.831886 -0.000137
N 3.684378 1.352284 -0.000297
N 5.385905 0.022230 0.000062
N 4.973256 1.335106 -0.000395
C -0.355432 0.440349 -0.000138
C -0.910808 -0.844931 0.000040
C -1.140763 1.627132 -0.000276
C -2.310533 -0.973972 0.000079
C -2.520154 1.472349 -0.000227
C -3.095403 0.178863 -0.000047
C -0.032273 -2.046628 0.000162
C 1.849563 -0.446806 -0.000015
C 1.407241 -1.715356 0.000194
C -0.479209 2.959191 -0.000407
C 3.241443 -0.006075 -0.000071
H -2.767198 -1.976518 0.000137
H -3.183809 2.347790 -0.000305
H 2.092951 -2.570437 0.000400
H 0.174224 3.082112 -0.880787
H -1.192429 3.793847 -0.002121
H 0.171624 3.083518 0.881693
H 6.357898 -0.291914 0.000102


%chk=000217200-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217200

0 1
O 1.028822 0.705881 0.000021
O -0.439172 -3.210722 0.000307
O -5.071489 -1.167118 -0.000186
O -5.290644 1.105896 -0.000686
N -4.578072 0.025777 -0.000150
N 4.318439 -0.909008 0.000164
N 3.739818 1.326888 -0.000069
N 5.395523 -0.078361 -0.000366
N 5.092584 1.284324 -0.000408
C -0.359322 0.486048 0.000019
C -0.900068 -0.827893 0.000183
C -1.158914 1.663341 -0.000195
C -2.305572 -0.982303 0.000118
C -2.552413 1.478638 -0.000264
C -3.101582 0.170770 -0.000098
C 0.002196 -2.016077 0.000468
C 1.883365 -0.398374 0.000087
C 1.432746 -1.696610 0.000256
C -0.519835 3.033970 -0.000277
C 3.290201 0.000775 -0.000046
H -2.740447 -1.985603 0.000256
H -3.231656 2.335255 -0.000444
H 2.156240 -2.515318 0.000271
H 0.129904 3.169331 -0.883101
H -1.286697 3.824373 -0.001581
H 0.127822 3.170334 0.883941
H 6.356424 -0.422213 -0.000519


