%chk=000248878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248878

0 1
O -1.008437 2.122969 -0.308145
N 0.925114 0.921376 -0.064395
N -1.218708 -0.163162 0.061173
C 2.849112 -0.169881 1.081141
C 1.680247 -0.355675 0.071601
C 3.674154 -1.467735 1.165587
C 3.719703 1.047650 0.727597
C 2.162401 -0.846735 -1.310010
C 4.137348 -1.974821 -0.205831
C 2.955821 -2.149795 -1.168810
C 2.856433 2.311897 0.661518
C 1.719588 2.151562 -0.356338
C -0.476205 1.036538 -0.121257
C -2.644153 -0.252171 0.090731
C -3.196066 -1.530529 0.327501
C -3.484356 0.857215 -0.111324
C -4.583011 -1.680636 0.356930
C -4.866967 0.680851 -0.076547
C -5.423543 -0.581903 0.156179
H 2.394272 0.018022 2.087309
H 0.992391 -1.134634 0.502756
H 3.071734 -2.251316 1.665169
H 4.552716 -1.306000 1.819199
H 4.234144 0.883667 -0.238483
H 4.519538 1.172277 1.480831
H 2.791423 -0.072382 -1.790599
H 1.298375 -0.990304 -1.985192
H 4.673723 -2.935318 -0.088208
H 4.871396 -1.267816 -0.639056
H 3.323076 -2.472837 -2.161781
H 2.294818 -2.963022 -0.812900
H 2.435620 2.537446 1.661851
H 3.474437 3.187549 0.387079
H 1.041568 3.039470 -0.326212
H 2.124943 2.086383 -1.390104
H -0.709183 -1.034825 0.235972
H -2.557922 -2.394238 0.485447
H -3.057347 1.850007 -0.293501
H -5.011515 -2.665702 0.538823
H -5.518980 1.540491 -0.233058
H -6.502402 -0.706938 0.180756


%chk=000248878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248878

0 1
O -1.005725 2.277251 -0.210020
N 0.945742 1.027806 0.128777
N -1.185890 -0.038867 0.140537
C 2.967554 -0.117397 1.088983
C 1.673636 -0.266787 0.227327
C 3.735305 -1.466054 1.135807
C 3.835923 1.075125 0.622828
C 1.957257 -0.875277 -1.176251
C 4.018740 -2.062088 -0.264558
C 2.707610 -2.222341 -1.068385
C 2.996296 2.370264 0.645117
C 1.745780 2.223441 -0.240571
C -0.451086 1.152506 0.004410
C -2.596929 -0.206267 0.077811
C -3.092804 -1.532365 0.228841
C -3.514567 0.859507 -0.129753
C -4.476486 -1.792045 0.171825
C -4.897718 0.581177 -0.184505
C -5.392866 -0.734703 -0.036460
H 2.632715 0.123243 2.120298
H 1.045722 -0.987354 0.793107
H 3.138229 -2.201014 1.715644
H 4.682814 -1.322013 1.691446
H 4.229543 0.904236 -0.399006
H 4.714114 1.168300 1.290498
H 2.564811 -0.163460 -1.768048
H 1.001608 -1.002253 -1.721167
H 4.524272 -3.040837 -0.157288
H 4.715097 -1.405734 -0.823787
H 2.918273 -2.619010 -2.079749
H 2.059400 -2.969257 -0.562629
H 2.685841 2.595422 1.684173
H 3.590155 3.230641 0.282095
H 1.076517 3.093004 -0.151089
H 2.054800 2.154435 -1.306930
H -0.665166 -0.903145 0.288688
H -2.390545 -2.361820 0.390798
H -3.130746 1.874029 -0.246241
H -4.837306 -2.820162 0.289639
H -5.595786 1.410713 -0.346591
H -6.468832 -0.933855 -0.082220


