%chk=000208640.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208640

0 1
O 0.580186 3.383814 0.065213
O -3.695438 -1.928282 -0.049596
N -0.494923 1.388010 0.023170
N -2.028468 -0.357116 -0.014546
N 0.342042 -0.938280 -0.019574
C -1.832716 1.940541 0.030680
C -2.776985 0.863555 0.007312
C -0.621370 -0.034372 -0.004700
C 0.722209 2.184092 0.041512
C 1.998443 1.443961 0.029030
C -2.503022 -1.722564 -0.042435
C -1.405076 -2.697630 -0.058519
C -2.265181 3.260262 0.055333
C -4.145785 1.092369 0.008345
C -0.044750 -2.293537 -0.047004
C 2.615464 1.130555 -1.200497
C 2.609908 1.079095 1.247048
C -3.650463 3.485799 0.056264
C -4.568724 2.429761 0.033365
C 3.853661 0.479203 -1.202482
C 3.848196 0.428137 1.227235
C 4.469544 0.123768 0.006853
C -1.717968 -4.077020 -0.086248
C 0.983073 -3.271593 -0.063290
C 1.949923 1.496181 -2.485470
C 1.938529 1.390215 2.543281
C -0.706779 -5.021113 -0.101928
C 0.646463 -4.612475 -0.090326
C 5.797047 -0.561236 -0.004513
H -1.550291 4.087108 0.073281
H -4.851722 0.259044 -0.009675
H -4.015404 4.513282 0.075402
H -5.637412 2.646041 0.034912
H 4.336571 0.240739 -2.146516
H 4.326840 0.150179 2.162598
H -2.770664 -4.375272 -0.094890
H 2.022718 -2.939300 -0.054041
H 1.656432 2.556893 -2.510778
H 2.590530 1.325274 -3.361168
H 1.038126 0.897063 -2.638587
H 1.642044 2.448199 2.611027
H 2.576222 1.185111 3.413749
H 1.027797 0.782891 2.667982
H -0.944183 -6.083103 -0.123264
H 1.430072 -5.372170 -0.103031
H 6.612536 0.178408 0.014693
H 5.937559 -1.218123 0.864551
H 5.943088 -1.178364 -0.901356


%chk=000208640-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208640

0 1
O 0.617875 3.368967 0.043484
O -3.796069 -1.911458 -0.032786
N -0.523021 1.353321 0.015422
N -2.046104 -0.349092 -0.010629
N 0.305895 -0.957500 -0.031835
C -1.840630 1.930229 0.029552
C -2.784634 0.865364 0.013853
C -0.657206 -0.067590 -0.010692
C 0.692226 2.109940 0.027015
C 2.008702 1.382625 0.020636
C -2.550561 -1.688864 -0.033683
C -1.478813 -2.700796 -0.056771
C -2.266473 3.270560 0.054802
C -4.170893 1.092510 0.022887
C -0.095543 -2.305216 -0.055474
C 2.651471 1.119050 -1.218809
C 2.634030 1.067538 1.257012
C -3.663363 3.505886 0.064083
C -4.597778 2.441559 0.048528
C 3.932026 0.521405 -1.199469
C 3.915218 0.471445 1.231014
C 4.583478 0.192475 0.014104
C -1.821765 -4.078805 -0.080836
C 0.912074 -3.309187 -0.078824
C 1.967734 1.437691 -2.536751
C 1.931890 1.330958 2.577546
C -0.815488 -5.056515 -0.103510
C 0.554649 -4.666424 -0.102497
C 5.976620 -0.412640 0.011081
H -1.543097 4.085106 0.066316
H -4.868160 0.253437 0.010386
H -4.023902 4.539634 0.083700
H -5.670154 2.662062 0.056316
H 4.432412 0.310936 -2.153043
H 4.402279 0.221824 2.182020
H -2.883680 -4.345934 -0.081135
H 1.957093 -2.984956 -0.077467
H 1.607230 2.482229 -2.568633
H 2.654528 1.290182 -3.386897
H 1.092287 0.778845 -2.698501
H 1.564865 2.371473 2.645770
H 2.608811 1.153983 3.429995
H 1.058424 0.661517 2.702481
H -1.081218 -6.118431 -0.122095
H 1.336824 -5.433253 -0.120367
H 6.752443 0.377533 0.032494
H 6.141759 -1.056264 0.893100
H 6.153608 -1.019362 -0.894494


