%chk=000231248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231248

0 1
O -1.201092 5.818323 0.283501
O 5.371950 -2.377852 1.288743
O 1.169280 0.451531 -2.561242
N -0.929151 -0.675638 -0.371233
N -2.095747 -0.552781 0.322050
C -0.450265 1.787831 -0.342121
C -0.188984 0.364336 -0.632489
C 2.212571 -0.557592 -0.690033
C 1.094416 0.092724 -1.403850
C -0.518081 2.712174 -1.406896
C -0.619763 2.225132 0.976810
C 2.130118 -0.943697 0.663124
C 3.400168 -0.794387 -1.406978
C -0.951811 4.470132 0.181700
C -0.773816 4.051428 -1.156404
C -0.875745 3.571859 1.253191
C 4.389310 -1.774672 0.548390
C 3.208607 -1.549642 1.291120
C 4.497795 -1.401899 -0.800162
C -2.954947 -1.704132 0.354000
C -4.289900 -1.498497 0.758232
C -2.483100 -3.000191 0.074393
C -5.137854 -2.599720 0.888849
C -3.351332 -4.083184 0.207564
C -4.676495 -3.890692 0.615280
C -1.376353 6.379966 1.607052
C 6.636159 -2.669716 0.641222
H -0.356736 2.357952 -2.431798
H -0.546407 1.513961 1.801280
H 1.210161 -0.768875 1.227068
H 3.452591 -0.492197 -2.459323
H -0.833552 4.783756 -1.959264
H -1.002697 3.898096 2.279405
H 3.166029 -1.857077 2.333643
H 5.404704 -1.576782 -1.368328
H -2.559866 0.365644 0.384582
H -4.663132 -0.500719 0.971189
H -1.451200 -3.151445 -0.245221
H -6.169711 -2.447191 1.204351
H -2.991410 -5.089131 -0.008796
H -5.344412 -4.742178 0.716971
H -0.466889 6.247351 2.199985
H -2.251353 5.940466 2.093790
H -1.544837 7.440874 1.378344
H 6.486210 -3.371643 -0.184146
H 7.201902 -3.137338 1.458188
H 7.115867 -1.743869 0.311166


%chk=000231248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231248

0 1
O -2.121831 6.098726 -0.052469
O 5.023278 -3.729431 0.733775
O 2.238696 1.673010 -1.368256
N -0.376244 -0.254465 0.002839
N -1.711716 -0.223925 0.253482
C -0.349735 2.241309 -0.188665
C 0.281025 0.884863 -0.240906
C 2.522775 -0.464881 -0.302231
C 1.711112 0.740908 -0.669531
C -0.318828 3.135167 -1.297428
C -0.991410 2.674774 1.003409
C 2.252983 -1.308195 0.814696
C 3.682051 -0.729952 -1.078808
C -1.559643 4.815976 -0.021441
C -0.919565 4.402627 -1.217646
C -1.592741 3.949072 1.099789
C 4.248484 -2.635711 0.332556
C 3.106364 -2.375677 1.133127
C 4.539612 -1.806057 -0.782161
C -2.435807 -1.420798 0.462097
C -3.832729 -1.331752 0.701922
C -1.794914 -2.687681 0.443051
C -4.581993 -2.505683 0.924139
C -2.559145 -3.850506 0.667637
C -3.952114 -3.772283 0.910088
C -2.765960 6.589101 1.169120
C 6.225761 -4.039076 -0.046538
H 0.196003 2.832267 -2.211592
H -0.985262 2.026164 1.888373
H 1.378196 -1.118922 1.440166
H 3.898664 -0.063642 -1.920319
H -0.896710 5.094882 -2.064577
H -2.060239 4.253197 2.040983
H 2.915320 -3.020742 1.996004
H 5.417290 -1.986792 -1.409891
H -2.223080 0.671834 0.236170
H -4.327353 -0.352075 0.712194
H -0.721122 -2.738492 0.245488
H -5.659588 -2.429564 1.107228
H -2.062494 -4.827197 0.649996
H -4.536420 -4.682158 1.082169
H -2.046123 6.643818 2.008725
H -3.624925 5.951561 1.456229
H -3.121993 7.599081 0.919364
H 5.970963 -4.286617 -1.094982
H 6.667431 -4.917505 0.445904
H 6.944877 -3.197761 -0.026380


