%chk=000116322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116322

0 1
O 4.814298 -0.085213 -1.200029
O 1.793556 0.484203 2.254230
O -1.984858 -2.054630 -0.716320
O -2.339347 2.854685 -0.334377
O -3.727163 0.295254 -0.848122
O 1.764789 -1.816007 0.143610
O -0.029329 -3.013694 0.240761
N 2.697167 1.151581 0.257336
N 0.545452 -1.945185 0.166352
C 2.667637 1.083678 -1.228037
C 4.079832 1.079168 0.814708
C 3.478954 -0.121062 -1.740345
C 4.823851 -0.137943 0.243421
C 1.659335 0.650374 1.054245
C 0.282858 0.534053 0.417681
C -0.256417 -0.726271 0.067273
C -0.450513 1.691094 0.260028
C -1.605759 -0.803399 -0.381530
C -1.793935 1.622664 -0.201011
C -2.392127 0.375503 -0.466989
C -3.231240 -2.271419 -1.441702
C -3.660601 3.002261 -0.927486
C -4.621756 0.117411 0.292166
H 3.117257 2.031471 -1.607907
H 1.625682 1.045210 -1.606234
H 4.033577 1.028981 1.928480
H 4.602175 2.022700 0.541974
H 3.004205 -1.085202 -1.468418
H 3.658603 -0.073948 -2.827888
H 5.902301 -0.122138 0.475734
H 4.371339 -1.092111 0.575141
H -0.032442 2.671301 0.503484
H -3.044775 -3.260033 -1.884040
H -3.392773 -1.502874 -2.204113
H -4.053174 -2.302160 -0.722006
H -4.414233 2.794424 -0.163167
H -3.782399 2.344251 -1.795545
H -3.654768 4.061673 -1.214251
H -4.549846 0.975206 0.966298
H -4.383151 -0.810101 0.820782
H -5.602661 0.064947 -0.191687


%chk=000116322-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116322

0 1
O 5.008452 0.188608 -1.317315
O 1.781678 0.257802 2.253006
O -2.469593 -2.005246 -0.301909
O -2.331000 2.957022 -0.339858
O -3.896740 0.442195 -0.569568
O 1.489203 -2.075045 -0.127100
O -0.244928 -3.002177 1.034999
N 2.687909 0.935142 0.208323
N 0.299425 -2.028747 0.400776
C 2.651525 0.981894 -1.269880
C 4.044230 1.080606 0.787848
C 3.654204 -0.042626 -1.848806
C 4.997844 0.050092 0.151708
C 1.647591 0.512209 1.014078
C 0.256586 0.458893 0.401471
C -0.440949 -0.767175 0.241396
C -0.427062 1.662217 0.170316
C -1.810005 -0.783945 -0.132997
C -1.802403 1.681720 -0.184683
C -2.510538 0.450232 -0.293038
C -3.051001 -2.249846 -1.649766
C -3.601129 3.193884 -1.058736
C -4.730602 -0.072335 0.551940
H 2.929224 2.000862 -1.604861
H 1.633364 0.757239 -1.626020
H 3.966303 0.930662 1.877668
H 4.410086 2.104604 0.579395
H 3.317186 -1.069389 -1.601555
H 3.742428 0.073602 -2.941672
H 6.037863 0.224167 0.472129
H 4.685743 -0.977711 0.431509
H 0.077988 2.624049 0.296577
H -3.534319 -3.234064 -1.569046
H -2.241579 -2.287282 -2.401280
H -3.785355 -1.468775 -1.911173
H -4.466921 2.910884 -0.439720
H -3.630474 2.631415 -2.006758
H -3.599377 4.278130 -1.248963
H -4.602170 0.568858 1.443276
H -4.455093 -1.113935 0.791820
H -5.767994 -0.019987 0.188970


