%chk=000182193.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182193

0 1
O -2.552215 -1.054720 2.196967
O 2.795569 -1.061166 2.520679
O 2.324308 0.497687 -2.617539
N -1.250879 0.423323 -0.782406
N 1.648095 -0.884863 -0.926465
N 3.381614 0.398876 0.875405
C -1.117809 -0.688639 0.220716
C -1.236501 -2.102293 -0.454416
C 0.151473 -0.448508 1.054566
C 1.431712 -1.113102 0.521417
C -2.356410 -0.436870 1.181634
C -0.297263 -2.249605 -1.632602
C -0.953944 -3.207244 0.576023
C -2.678687 -2.280995 -0.979189
C -2.464135 1.097901 -0.605714
C -3.121691 0.660503 0.583673
C 2.598449 -0.620476 1.404717
C 0.902998 -1.697108 -1.847548
C 2.381832 0.211557 -1.435345
C 3.269991 0.900159 -0.464636
C 4.449416 1.161191 1.604519
C 4.890634 2.243912 0.583962
C -3.003893 2.127031 -1.395357
C -4.304098 1.271538 0.998415
C 4.101349 1.944081 -0.667292
C -4.188246 2.716867 -0.957619
C -4.835380 2.302261 0.221358
H -0.022992 -0.824421 2.092957
H 0.304723 0.648910 1.159760
H 1.354846 -2.237801 0.677755
H -0.814283 0.324747 -1.690703
H -0.689622 -2.917721 -2.408695
H -1.532851 -3.048964 1.500240
H -1.225410 -4.194857 0.187680
H 0.107364 -3.254809 0.859341
H -3.413813 -2.283545 -0.164134
H -2.967542 -1.492730 -1.681964
H -2.798870 -3.238499 -1.499287
H 1.435495 -1.829035 -2.804300
H 5.276230 0.477060 1.884767
H 4.033680 1.592629 2.537209
H 5.978267 2.199722 0.388655
H 4.677897 3.264672 0.953622
H -2.509386 2.457578 -2.302245
H -4.796960 0.939579 1.913694
H 4.230931 2.511894 -1.574793
H -4.629440 3.524338 -1.546212
H -5.756549 2.792053 0.526025


%chk=000182193-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182193

0 1
O -2.694955 -1.158516 2.202011
O 2.748320 -0.902090 2.596402
O 2.291802 0.529567 -2.708777
N -1.281096 0.267798 -0.788242
N 1.569763 -0.798841 -0.923132
N 3.322999 0.503334 0.834918
C -1.164632 -0.801354 0.235706
C -1.259169 -2.237222 -0.436222
C 0.090038 -0.587757 1.134889
C 1.442915 -1.076174 0.537085
C -2.412218 -0.498852 1.159969
C -0.237471 -2.377029 -1.571726
C -1.089051 -3.377255 0.613614
C -2.668991 -2.402496 -1.084460
C -2.374056 1.086186 -0.569989
C -3.087219 0.673762 0.601187
C 2.577881 -0.502225 1.405419
C 0.917409 -1.698299 -1.819880
C 2.333230 0.244504 -1.470556
C 3.212187 0.952582 -0.513145
C 4.386588 1.273379 1.547875
C 4.810331 2.369361 0.512356
C -2.817292 2.204750 -1.323965
C -4.238603 1.368996 1.038449
C 4.044685 2.004993 -0.751431
C -3.968675 2.882291 -0.875461
C -4.680750 2.479815 0.294880
H -0.062755 -1.113972 2.094442
H 0.152843 0.493884 1.359957
H 1.501073 -2.173499 0.647619
H -0.688063 0.301663 -1.615938
H -0.523207 -3.103497 -2.344991
H -1.835824 -3.264586 1.418121
H -1.241746 -4.354461 0.120207
H -0.087604 -3.391919 1.074956
H -3.456482 -2.412406 -0.311096
H -2.885675 -1.588903 -1.798397
H -2.722045 -3.362080 -1.630521
H 1.445499 -1.821702 -2.771188
H 5.215324 0.593816 1.813260
H 3.976622 1.684608 2.484983
H 5.902624 2.368385 0.342874
H 4.544338 3.386127 0.860429
H -2.284245 2.534226 -2.221933
H -4.763026 1.034628 1.939872
H 4.141777 2.500281 -1.717284
H -4.327589 3.748774 -1.443494
H -5.567804 3.039525 0.607642


