%chk=000188450.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188450

0 1
O -0.040060 2.401753 -1.811951
O -0.224413 -2.027275 -0.444587
N 1.582972 -0.699085 -1.184827
N -0.521110 0.220069 -1.127101
N -4.019969 0.165709 0.247384
C 1.778073 0.770534 -1.367789
C 2.481392 1.442841 -0.182759
C -2.004586 0.271294 -1.105643
C 0.325564 1.302033 -1.489842
C -2.525443 0.153756 0.343446
C 2.688587 -1.513721 -0.631696
C -4.564798 -1.232667 0.228991
C -4.629919 0.972113 1.355432
C 0.228102 -0.976980 -0.832781
C 3.661538 0.653726 0.306852
C -6.087748 -1.193361 0.021906
C -6.155043 1.040611 1.166505
C -6.770573 -0.363203 1.116001
C 3.736181 -0.736637 0.123722
C 4.689057 1.320010 0.995288
C 4.835559 -1.446269 0.635058
C 5.777267 0.608165 1.499539
C 5.849710 -0.778530 1.321116
H 2.342649 0.939490 -2.319828
H 1.775606 1.579625 0.668329
H 2.782322 2.471746 -0.478874
H -2.336707 1.232935 -1.563684
H -2.406362 -0.553889 -1.735921
H -2.116820 -0.763236 0.823711
H -2.154053 1.010194 0.943618
H 3.167203 -2.026917 -1.506043
H 2.261267 -2.321998 0.015551
H -4.322668 -1.799279 1.154055
H -4.085810 -1.774192 -0.615723
H -4.205234 1.998298 1.301736
H -4.391663 0.567829 2.362432
H -6.487720 -2.223108 0.008657
H -6.312131 -0.755646 -0.971598
H -6.382722 1.579764 0.224652
H -6.604291 1.632780 1.983678
H -7.856792 -0.296195 0.921758
H -6.663119 -0.862943 2.097034
H 4.636372 2.398562 1.137984
H 4.898090 -2.525329 0.497109
H 6.570436 1.130739 2.032330
H 6.697706 -1.335215 1.716976


%chk=000188450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188450

0 1
O -0.218471 2.420835 -1.149171
O -0.141049 -2.282425 -0.777048
N 1.593192 -0.655905 -0.883613
N -0.541443 0.071873 -1.019327
N -4.120042 0.221485 0.233333
C 1.693625 0.810504 -0.964934
C 2.436256 1.351893 0.276789
C -2.009274 0.015971 -1.065211
C 0.218175 1.244815 -1.059006
C -2.649854 0.346720 0.306662
C 2.761540 -1.505468 -0.654554
C -4.595717 -1.172669 0.425733
C -4.846755 1.171634 1.112816
C 0.282074 -1.103062 -0.880579
C 3.754014 0.605526 0.461594
C -6.102614 -1.289305 0.118407
C -6.361516 1.133325 0.823364
C -6.915223 -0.301455 0.987386
C 3.895213 -0.743610 0.032365
C 4.854627 1.250319 1.080750
C 5.127606 -1.412997 0.232613
C 6.075385 0.575108 1.286764
C 6.212056 -0.767151 0.860618
H 2.228105 1.125045 -1.883175
H 1.790371 1.211501 1.166381
H 2.604834 2.437313 0.166147
H -2.369178 0.743042 -1.812481
H -2.284377 -1.002294 -1.388318
H -2.202571 -0.314876 1.088700
H -2.391212 1.389484 0.565969
H 3.131127 -1.925428 -1.613477
H 2.435177 -2.367125 -0.040648
H -4.407354 -1.512593 1.479206
H -4.020210 -1.844217 -0.237128
H -4.451491 2.187788 0.929252
H -4.678181 0.934983 2.197428
H -6.434549 -2.330351 0.296659
H -6.265574 -1.062078 -0.952757
H -6.531013 1.478360 -0.214912
H -6.884390 1.834663 1.502016
H -7.987229 -0.336727 0.715524
H -6.841502 -0.603895 2.052931
H 4.747177 2.293520 1.402252
H 5.236354 -2.451363 -0.105649
H 6.913729 1.089837 1.768488
H 7.156050 -1.301646 1.012045


