%chk=000182680.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182680

1 1
O -0.994506 -2.481407 -0.431828
O 1.314566 -4.126137 0.137062
O -2.138134 -1.019604 1.087351
O -4.311359 0.725716 0.703737
N 3.330103 1.921471 -0.018738
C 1.844775 1.508627 0.182671
C 4.183465 1.180170 1.018730
C 1.691109 0.009325 0.234323
C 0.945889 2.090235 -0.927303
C 4.136939 -0.330936 0.803909
C 2.760336 -0.854824 0.497329
C 3.478987 3.410261 0.222765
C 3.820435 1.602934 -1.414036
C 0.381436 -0.506583 0.021532
C -0.482004 1.745322 -0.586419
C -0.737202 0.448500 -0.054636
C 2.577084 -2.237412 0.467622
C 0.223266 -1.893912 -0.121102
C 1.315719 -2.768904 0.143978
C -1.497289 2.668797 -0.754086
C -2.025417 0.167211 0.436794
C -3.076560 1.133974 0.245377
C -2.812472 2.352959 -0.355648
C -1.441812 -2.229137 -1.794736
C 0.064637 -4.842540 -0.075933
C -3.423086 -1.411307 1.647503
C -5.426025 1.641641 0.543479
H 1.528925 1.938022 1.177329
H 3.799512 1.430435 2.037691
H 5.234108 1.546992 0.974049
H 1.185577 1.651006 -1.920581
H 1.072423 3.185385 -1.027194
H 4.525902 -0.832328 1.725008
H 4.842740 -0.646823 0.003080
H 4.520233 3.749199 0.069636
H 2.839990 3.998794 -0.463870
H 3.187420 3.689242 1.252808
H 3.547909 0.565623 -1.701731
H 3.376322 2.275050 -2.169790
H 4.918019 1.693528 -1.493259
H 3.390746 -2.930521 0.685454
H -1.304925 3.648471 -1.187624
H -3.600689 3.087499 -0.515385
H -0.727304 -2.648120 -2.506933
H -1.594979 -1.159643 -1.959809
H -2.396503 -2.769254 -1.817309
H -0.241273 -4.739489 -1.120109
H -0.712689 -4.473874 0.603179
H 0.364231 -5.871179 0.164195
H -4.165647 -1.514431 0.849442
H -3.742530 -0.686206 2.402952
H -3.171123 -2.382034 2.093411
H -6.248366 1.060599 0.984573
H -5.611546 1.836790 -0.516592
H -5.250266 2.560629 1.109786


%chk=000182680-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182680

1 1
O -0.929584 -2.558561 -0.703164
O 1.260903 -4.194883 0.114958
O -2.149370 -0.967816 1.196503
O -4.303793 0.842261 0.898872
N 3.337195 1.946581 -0.042930
C 1.834085 1.524023 0.092770
C 4.139205 1.187816 1.039822
C 1.687113 0.003198 0.182219
C 0.951558 2.052786 -1.064913
C 4.157933 -0.316054 0.772109
C 2.768811 -0.860825 0.472196
C 3.480842 3.438869 0.231427
C 3.893820 1.638462 -1.428301
C 0.372132 -0.523788 -0.053937
C -0.486865 1.740477 -0.679192
C -0.755515 0.447909 -0.134590
C 2.554951 -2.253925 0.492929
C 0.222326 -1.935221 -0.199798
C 1.302474 -2.806725 0.153756
C -1.510778 2.694283 -0.791521
C -2.038559 0.184764 0.433051
C -3.077538 1.169658 0.311486
C -2.813858 2.399583 -0.329723
C -1.458242 -2.067882 -1.993623
C 0.021066 -4.929269 0.460669
C -3.383949 -1.785843 1.213974
C -5.384412 1.837206 0.838887
H 1.509718 2.016151 1.034033
H 3.638282 1.415586 1.996958
H 5.154640 1.620487 1.053827
H 1.229966 1.537810 -2.005492
H 1.059620 3.140935 -1.217057
H 4.565903 -0.805196 1.676329
H 4.866765 -0.559873 -0.043105
H 4.537216 3.723522 0.106305
H 2.861057 4.008582 -0.474635
H 3.158058 3.647759 1.262801
H 3.642299 0.604990 -1.702546
H 3.451893 2.333324 -2.156197
H 4.986848 1.772054 -1.405474
H 3.364412 -2.948987 0.738157
H -1.303351 3.676870 -1.228700
H -3.600780 3.152397 -0.424003
H -0.639510 -1.961454 -2.729038
H -1.989081 -1.107137 -1.879973
H -2.160464 -2.847233 -2.326371
H -0.694709 -4.908587 -0.373849
H -0.446887 -4.496103 1.362712
H 0.363906 -5.954907 0.663153
H -3.794019 -1.903371 0.196123
H -4.138456 -1.330202 1.871608
H -3.054878 -2.761876 1.600422
H -6.228886 1.369254 1.364076
H -5.669190 2.055080 -0.207693
H -5.093226 2.770843 1.355798


