%chk=000217578.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217578

0 1
O 0.981196 -0.489383 -1.987766
N -4.003495 0.568087 0.194442
C -5.199945 1.468728 0.304602
C -4.290079 -0.589397 -0.717215
C -6.395085 0.681662 0.868731
C -5.469572 -1.408704 -0.167818
C -2.808352 1.341523 -0.283480
C -6.719545 -0.534451 -0.007611
C -1.531464 0.580131 0.115333
C -0.279477 1.383189 -0.250984
C 1.012202 0.637567 0.140823
C 2.194585 1.578908 0.097803
C 1.258824 -0.541539 -0.810211
C 1.844529 -1.775405 -0.197156
C 2.778801 2.017243 1.295516
C 2.702920 2.031611 -1.129560
C 3.863788 2.898073 1.262573
C 3.787990 2.910217 -1.156173
C 2.888681 -1.700697 0.734356
C 1.345307 -3.024801 -0.593358
C 4.371223 3.344959 0.038855
C 3.421643 -2.873128 1.276781
C 1.873846 -4.194421 -0.040707
C 2.911261 -4.118577 0.894383
H -4.939888 2.293507 1.002949
H -5.478477 1.934654 -0.664744
H -4.503255 -0.271302 -1.760475
H -3.379011 -1.226110 -0.752918
H -7.273145 1.346624 0.950938
H -6.156780 0.344341 1.897668
H -5.189583 -1.839968 0.814277
H -5.675390 -2.261510 -0.838871
H -2.818406 1.529413 -1.378341
H -2.807513 2.338666 0.208380
H -7.083874 -0.204596 -0.998591
H -7.540629 -1.121283 0.443158
H -1.510957 -0.409599 -0.382142
H -1.559850 0.366927 1.202902
H -0.296652 2.370221 0.251391
H -0.264569 1.592502 -1.341679
H 0.885037 0.238596 1.180535
H 2.385890 1.681272 2.253163
H 2.248376 1.691800 -2.063304
H 4.313412 3.237633 2.194318
H 4.180189 3.257046 -2.111337
H 3.295998 -0.731600 1.027766
H 0.549759 -3.076361 -1.339139
H 5.216513 4.029559 0.015675
H 4.236424 -2.816474 1.996750
H 1.481788 -5.163970 -0.343684
H 3.325413 -5.030683 1.322698


%chk=000217578-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217578

0 1
O 0.650105 -0.778584 -1.793024
N -4.156650 0.630106 0.230704
C -5.300625 1.571778 0.353634
C -4.481539 -0.480098 -0.702578
C -6.563415 0.850511 0.868783
C -5.719309 -1.267664 -0.226527
C -2.898140 1.330886 -0.130947
C -6.934865 -0.328255 -0.058360
C -1.629196 0.515342 0.193680
C -0.344720 1.300557 -0.151741
C 0.959104 0.547937 0.234216
C 2.184546 1.465391 0.092162
C 1.154256 -0.718714 -0.631351
C 1.964525 -1.866875 -0.097609
C 2.797823 2.028180 1.240030
C 2.686256 1.811036 -1.189563
C 3.887496 2.918990 1.113982
C 3.777599 2.698213 -1.317077
C 2.694217 -1.797251 1.120106
C 2.000274 -3.069973 -0.855717
C 4.382665 3.256119 -0.166757
C 3.439734 -2.908057 1.569014
C 2.738440 -4.180545 -0.403682
C 3.460605 -4.102845 0.812250
H -5.011476 2.377933 1.054246
H -5.536189 2.056266 -0.633109
H -4.674687 -0.084034 -1.736842
H -3.611412 -1.156472 -0.770285
H -7.398749 1.574118 0.937726
H -6.361869 0.468892 1.888507
H -5.484493 -1.746306 0.743901
H -5.943329 -2.072209 -0.953534
H -2.883919 1.619392 -1.215353
H -2.865464 2.275119 0.448456
H -7.234796 0.066026 -1.051831
H -7.803400 -0.882527 0.345447
H -1.630894 -0.435412 -0.370569
H -1.648701 0.258579 1.271537
H -0.344872 2.275336 0.375648
H -0.318941 1.513479 -1.237127
H 0.876892 0.241920 1.295420
H 2.412073 1.777972 2.237012
H 2.222621 1.380365 -2.084870
H 4.347788 3.349026 2.010900
H 4.156845 2.953764 -2.313042
H 2.703375 -0.874511 1.707554
H 1.438400 -3.103311 -1.795069
H 5.229529 3.944181 -0.266907
H 4.005534 -2.843106 2.504765
H 2.754703 -5.104453 -0.992096
H 4.036845 -4.965509 1.165387


