%chk=000269390.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269390

0 1
O 3.081692 0.303706 -0.889515
O -2.556887 1.449487 1.024955
O 5.120949 0.341173 0.092515
O -4.585995 2.069479 0.237849
O -0.386190 -3.331646 2.730019
O -0.762203 -3.232717 -2.582822
O -0.723920 -1.745390 1.303182
O 0.219183 -1.601716 -1.560852
N 0.003908 -2.433741 2.003201
N -0.775174 -2.166306 -1.991202
C 1.679479 4.284763 -0.254422
C 0.202712 4.569450 0.055917
C 1.859518 3.006745 -1.082777
C -0.405057 3.511728 0.985399
C 3.337555 2.689084 -1.336996
C -1.888077 3.777262 1.269035
C 3.520514 1.281257 -1.891585
C -2.549412 2.586044 1.952468
C 3.979886 -0.065774 0.075005
C -3.632395 1.324438 0.183966
C 3.352450 -1.005118 1.042073
C -3.441323 0.180261 -0.744417
C 1.980257 -1.284438 1.011840
C -2.201486 -0.458062 -0.875402
C 4.182248 -1.601078 2.007153
C -4.544379 -0.238972 -1.507763
C 1.452450 -2.150311 1.981242
C -2.081192 -1.503659 -1.802522
C 3.642025 -2.480023 2.951549
C -4.412087 -1.301204 -2.407911
C 2.276234 -2.759538 2.945635
C -3.182185 -1.940597 -2.560722
H 2.112536 5.147745 -0.796564
H 2.252297 4.206767 0.690312
H -0.375404 4.620728 -0.887349
H 0.112635 5.571966 0.517453
H 1.387492 2.148857 -0.557096
H 1.320117 3.099432 -2.044555
H 0.161715 3.472157 1.935026
H -0.295671 2.504668 0.528433
H 3.921514 2.791298 -0.397935
H 3.776776 3.424592 -2.039344
H -2.426135 4.003647 0.324745
H -2.006085 4.679991 1.900328
H 4.568597 1.066684 -2.166101
H 2.837243 1.039260 -2.726176
H -3.585653 2.800938 2.270581
H -1.960876 2.171176 2.790303
H 1.330737 -0.841159 0.236870
H -1.342108 -0.154889 -0.255676
H 5.254252 -1.368566 2.010683
H -5.505750 0.275210 -1.389887
H 4.290833 -2.947209 3.694272
H -5.273323 -1.630628 -2.991354
H 1.836400 -3.445258 3.679827
H -3.062438 -2.775896 -3.260694


%chk=000269390-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269390

0 1
O 3.246840 0.264302 -0.673786
O -3.009022 2.291259 0.278685
O 5.296219 0.160848 0.443712
O -5.135779 1.573462 0.922353
O -0.099648 -4.416702 1.973196
O -0.591762 -2.543457 -2.927289
O -0.385754 -2.818893 0.377810
O 0.111210 -0.591337 -1.987507
N 0.321458 -3.414375 1.277996
N -0.794191 -1.485452 -2.220226
C 1.802338 4.452306 0.017515
C 0.345948 4.974981 -0.051154
C 2.019858 3.108722 -0.719043
C -0.687698 4.048484 0.627787
C 3.513939 2.743935 -0.857109
C -2.139852 4.549798 0.458997
C 3.758867 1.384849 -1.526693
C -3.190614 3.583153 1.008936
C 4.123943 -0.256407 0.264793
C -4.047500 1.368127 0.331207
C 3.506345 -1.386810 1.031583
C -3.693908 0.112923 -0.403461
C 2.193963 -1.843956 0.763780
C -2.413341 -0.072358 -0.972763
C 4.285984 -2.001251 2.045564
C -4.671053 -0.910660 -0.505118
C 1.697783 -2.915849 1.533555
C -2.141429 -1.282600 -1.635552
C 3.762374 -3.074068 2.797907
C -4.372616 -2.114089 -1.179680
C 2.457040 -3.543451 2.547126
C -3.099788 -2.312504 -1.754146
H 2.475034 5.216493 -0.424499
H 2.110091 4.343993 1.078399
H 0.064226 5.107507 -1.117230
H 0.295802 5.981734 0.412870
H 1.496933 2.289256 -0.190916
H 1.565165 3.168324 -1.730359
H -0.447876 3.951653 1.707382
H -0.617732 3.033587 0.196286
H 4.012247 2.754330 0.131550
H 4.026797 3.512385 -1.472465
H -2.346776 4.727628 -0.614600
H -2.271014 5.522822 0.975289
H 4.834573 1.213891 -1.707892
H 3.182417 1.274385 -2.459557
H -4.225225 3.934984 0.848550
H -3.048566 3.377191 2.086623
H 1.589122 -1.383783 -0.023296
H -1.646151 0.699872 -0.896299
H 5.297872 -1.621979 2.221751
H -5.651150 -0.743200 -0.046512
H 4.369131 -3.544577 3.577510
H -5.128436 -2.902122 -1.250622
H 2.020099 -4.372759 3.109486
H -2.833938 -3.238443 -2.270229


