%chk=000246828.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246828

0 1
O -2.938483 1.919317 0.539201
O 2.935569 -1.930879 0.482416
N -4.385310 0.170031 0.535551
N 4.382404 -0.182263 0.530637
C -4.626751 -1.292228 0.401810
C -5.532684 1.114958 0.487750
C 4.623945 1.283275 0.439914
C 5.529763 -1.125415 0.455304
C -6.074522 -1.685724 0.078507
C -6.109400 1.276858 -0.927417
C 6.071554 1.685967 0.127363
C 6.106207 -1.246314 -0.964066
C -6.544201 -1.215454 -1.304088
C -7.136766 0.199228 -1.286429
C 6.540488 1.255939 -1.268523
C 7.133272 -0.158566 -1.292091
C -0.593122 0.479462 0.514754
C 0.590211 -0.490952 0.501136
C -1.929413 -0.273604 0.512387
C 1.926504 0.261882 0.520123
C -3.089145 0.704260 0.512519
C 3.086239 -0.715566 0.491616
H -4.328599 -1.774224 1.363787
H -3.957860 -1.702711 -0.391761
H -5.171651 2.108197 0.857168
H -6.311757 0.769234 1.199775
H 4.326499 1.736725 1.415887
H 3.954599 1.717074 -0.340759
H 5.168778 -2.128923 0.795885
H 6.308972 -0.800439 1.176885
H -6.759901 -1.307478 0.863016
H -6.146660 -2.791346 0.134191
H -5.284473 1.280009 -1.667795
H -6.580513 2.276366 -1.009860
H 6.757343 1.285145 0.900217
H 6.143745 2.789510 0.215023
H 5.281108 -1.228292 -1.704040
H 6.577502 -2.242932 -1.075399
H -7.307187 -1.920802 -1.688868
H -5.704829 -1.258641 -2.025424
H -7.565973 0.425190 -2.283154
H -7.988216 0.241070 -0.579396
H 7.303143 1.972238 -1.633202
H 5.700686 1.319812 -1.987820
H 7.562125 -0.355485 -2.295109
H 7.985002 -0.220742 -0.586893
H -0.552236 1.162928 -0.357875
H -0.547032 1.145291 1.400995
H 0.549417 -1.149566 -0.390412
H 0.544028 -1.181480 1.368254
H -1.987807 -0.938442 -0.373829
H -1.990535 -0.936421 1.399914
H 1.987851 0.898808 1.426388
H 1.984671 0.952012 -0.346561


%chk=000246828-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246828

0 1
O -2.942279 2.005857 0.085828
O 2.942223 -1.999175 0.030672
N -4.413983 0.249496 0.485156
N 4.416021 -0.259433 0.488622
C -4.679085 -1.187830 0.732696
C -5.545730 1.207428 0.445613
C 4.685576 1.167973 0.783242
C 5.545854 -1.217646 0.417454
C -6.050256 -1.679658 0.211535
C -6.184731 1.318911 -0.960600
C 6.050260 1.675901 0.259809
C 6.176548 -1.291634 -0.995024
C -6.377749 -1.273114 -1.249275
C -7.061189 0.112954 -1.369602
C 6.360402 1.308275 -1.215121
C 7.045885 -0.072494 -1.379416
C -0.587809 0.497887 0.390156
C 0.589620 -0.499272 0.373394
C -1.951082 -0.220927 0.391781
C 1.953452 0.217515 0.409173
C -3.129364 0.764163 0.306529
C 3.130706 -0.765638 0.292285
H -4.607991 -1.412988 1.819511
H -3.892180 -1.776125 0.229503
H -5.135684 2.189970 0.734312
H -6.299832 0.907894 1.198281
H 4.629774 1.354590 1.878177
H 3.892254 1.773750 0.312085
H 5.136582 -2.207407 0.681636
H 6.304396 -0.939060 1.173688
H -6.864307 -1.329906 0.876187
H -6.037188 -2.783907 0.302972
H -5.364976 1.466909 -1.689048
H -6.803683 2.238290 -0.990949
H 6.872377 1.308924 0.904919
H 6.037777 2.777256 0.381099
H 5.352352 -1.424420 -1.721388
H 6.798348 -2.207774 -1.052557
H -7.056251 -2.032013 -1.686153
H -5.451323 -1.291867 -1.859066
H -7.401121 0.259373 -2.414402
H -7.978296 0.101822 -0.743244
H 7.031500 2.080075 -1.640650
H 5.426246 1.339970 -1.812322
H 7.376112 -0.189602 -2.431006
H 7.969009 -0.075285 -0.761881
H -0.538220 1.171064 -0.486073
H -0.526383 1.156834 1.278253
H 0.543583 -1.137663 -0.528728
H 0.523931 -1.192518 1.234627
H -1.996819 -0.919945 -0.470433
H -2.044025 -0.850034 1.299534
H 2.043007 0.810977 1.340998
H 2.004343 0.949171 -0.425188


