%chk=000245414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245414

0 1
O -3.295999 0.562102 0.034123
O 1.480960 1.881575 0.465932
O -2.197153 -0.831588 -1.365413
N 2.779949 0.068735 0.045816
C 4.013981 0.851121 0.333469
C 2.951266 -1.361704 -0.303666
C 1.537168 0.699289 0.153932
C 0.302613 -0.135245 -0.133616
C 4.681513 1.329842 -0.967305
C 2.760541 -2.267477 0.927150
C -0.963473 0.680514 0.118376
C -4.609811 0.097608 -0.469371
C -5.550100 0.440875 0.689455
C 5.968800 2.091506 -0.669691
C 2.932526 -3.736290 0.558082
C -2.160335 0.027610 -0.512119
C -4.903013 0.864593 -1.747798
C -5.590202 -0.661036 1.742129
H 3.738244 1.733669 0.962656
H 4.711319 0.228817 0.932526
H 2.238203 -1.644077 -1.110127
H 3.967558 -1.512796 -0.733305
H 0.297166 -1.056427 0.487943
H 0.318124 -0.491996 -1.189904
H 4.891821 0.472141 -1.633795
H 3.976351 1.979812 -1.525443
H 3.482624 -1.984764 1.718609
H 1.757330 -2.101584 1.369731
H -1.127794 0.843389 1.206482
H -0.845946 1.717656 -0.284801
H -4.525533 -0.995615 -0.655191
H -6.568526 0.636405 0.301008
H -5.214711 1.393881 1.153946
H 5.780285 2.974915 -0.046851
H 6.702262 1.468554 -0.145944
H 6.439809 2.444204 -1.594983
H 2.201635 -4.057546 -0.193820
H 3.931292 -3.942982 0.155977
H 2.797547 -4.381014 1.435432
H -5.899206 0.633180 -2.140390
H -4.175098 0.608901 -2.531844
H -4.844301 1.949234 -1.594136
H -5.979356 -1.601842 1.336581
H -6.229313 -0.378068 2.586691
H -4.588515 -0.862277 2.143768


%chk=000245414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245414

0 1
O -3.367129 0.613927 0.096997
O 1.519098 1.935353 0.233412
O -2.213043 -0.477178 -1.614018
N 2.765461 -0.016294 0.069651
C 4.014550 0.761346 0.257358
C 2.896555 -1.472866 -0.152980
C 1.558790 0.670279 0.071631
C 0.275872 -0.147258 -0.155152
C 4.596268 1.290691 -1.074627
C 2.935122 -2.300130 1.156248
C -0.974855 0.679660 0.188318
C -4.685711 0.289852 -0.564313
C -5.717539 0.243252 0.572433
C 5.911662 2.067500 -0.855313
C 3.146259 -3.804092 0.880335
C -2.206590 0.192999 -0.551364
C -4.973836 1.357690 -1.628237
C -5.460685 -0.890535 1.586264
H 3.785892 1.615527 0.918343
H 4.754415 0.113222 0.766404
H 2.073807 -1.830371 -0.796905
H 3.832463 -1.647615 -0.719516
H 0.292494 -1.084935 0.429406
H 0.216073 -0.445412 -1.221547
H 4.769923 0.442924 -1.767702
H 3.841170 1.946764 -1.545179
H 3.746963 -1.915941 1.804263
H 1.990656 -2.145054 1.713080
H -1.179207 0.697794 1.272151
H -0.781639 1.734558 -0.093180
H -4.571385 -0.702913 -1.040964
H -6.717938 0.121521 0.111558
H -5.719152 1.222837 1.088576
H 5.751024 2.935339 -0.188778
H 6.687401 1.426228 -0.394512
H 6.313649 2.447970 -1.811427
H 2.331361 -4.215001 0.255019
H 4.100219 -3.983556 0.349382
H 3.171473 -4.381576 1.821476
H -5.943852 1.152375 -2.117329
H -4.191648 1.356377 -2.405772
H -5.021221 2.361261 -1.169302
H -5.491779 -1.880901 1.093971
H -6.221104 -0.886673 2.387857
H -4.467809 -0.773146 2.054287


