%chk=000213219.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213219

0 1
O -0.246045 -1.920483 0.880067
O -0.587077 3.941579 1.720786
O -0.052629 2.639983 -0.015511
O 2.336139 -1.945671 -0.223619
N -2.827944 -0.705393 -0.006916
N 0.808652 -0.198893 -0.255644
C -1.593549 0.043927 0.336895
C -1.787599 0.700975 1.721708
C -2.984257 -0.934288 -1.473821
C -3.058383 -1.944557 0.803974
C -1.929078 -1.837676 -2.135556
C -4.567069 -2.071018 1.077843
C -0.311254 -0.829559 0.369944
C -0.637359 1.619232 2.141984
C -2.343322 -2.227339 -3.550576
C -4.861888 -3.274815 1.967461
C -0.393013 2.713299 1.148119
C 2.086374 -0.797536 -0.494542
C 3.069004 0.159500 -1.104749
C 4.293440 0.361069 -0.453549
C 2.794062 0.806083 -2.316118
C 5.238447 1.226612 -1.011081
C 3.745986 1.666322 -2.871125
C 4.964679 1.879164 -2.217932
H -1.478265 0.858947 -0.434591
H -1.921488 -0.087099 2.495935
H -2.747305 1.262671 1.710200
H -3.004236 0.059025 -1.973277
H -3.999895 -1.369235 -1.621322
H -2.500097 -1.886970 1.764785
H -2.670661 -2.857981 0.299703
H -0.946519 -1.329017 -2.162011
H -1.772098 -2.751055 -1.523125
H -4.939703 -1.141515 1.551791
H -5.121439 -2.159545 0.123304
H -0.857415 2.052305 3.146196
H 0.304309 1.036591 2.274207
H -3.277309 -2.801409 -3.556929
H -1.576646 -2.852266 -4.025193
H -2.490604 -1.349033 -4.188953
H -4.526102 -4.211489 1.506701
H -5.936725 -3.370996 2.158037
H -4.362789 -3.194114 2.940022
H 0.690285 0.793567 -0.543778
H -0.427091 4.697185 1.089273
H 4.508502 -0.164606 0.478338
H 1.848390 0.635617 -2.830683
H 6.190772 1.387414 -0.507521
H 3.537389 2.170126 -3.813931
H 5.703922 2.551765 -2.652118


%chk=000213219-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213219

0 1
O -0.101522 -1.725562 1.309824
O -1.251531 4.134886 1.367555
O -0.092817 2.748809 -0.070852
O 2.441131 -1.858304 -0.079445
N -2.693347 -0.902398 -0.036894
N 0.836873 -0.143227 -0.182336
C -1.599222 -0.001009 0.361693
C -1.967504 0.787011 1.648143
C -2.800858 -1.197886 -1.483632
C -3.108655 -2.003587 0.868454
C -1.706377 -2.117247 -2.096150
C -4.633195 -2.003535 1.136519
C -0.224265 -0.724842 0.559504
C -0.913804 1.851971 2.085745
C -2.015144 -2.466110 -3.567790
C -5.067528 -3.202655 2.007251
C -0.690658 2.907839 1.027983
C 2.137130 -0.675359 -0.387607
C 3.132043 0.257619 -1.039405
C 4.355630 -0.323912 -1.466013
C 2.921399 1.649731 -1.233861
C 5.347442 0.463177 -2.083213
C 3.919200 2.436431 -1.851166
C 5.131096 1.848116 -2.280160
H -1.490730 0.726065 -0.466447
H -2.080895 0.082187 2.491789
H -2.948405 1.266852 1.477388
H -2.816519 -0.237207 -2.039571
H -3.790038 -1.668949 -1.651586
H -2.559499 -1.922472 1.821463
H -2.811314 -2.991012 0.450953
H -0.720000 -1.618559 -2.031971
H -1.625069 -3.046071 -1.499027
H -4.907821 -1.050025 1.628074
H -5.178482 -2.024361 0.171976
H -1.250130 2.337978 3.014917
H 0.052893 1.352970 2.282433
H -2.971900 -3.015747 -3.654848
H -1.221933 -3.099465 -4.004018
H -2.095852 -1.552907 -4.188552
H -4.822994 -4.162462 1.513870
H -6.156013 -3.188398 2.197897
H -4.552480 -3.191852 2.986504
H 0.635825 0.796609 -0.548566
H -1.102329 4.791115 0.632225
H 4.500208 -1.395692 -1.294644
H 2.004185 2.146210 -0.898130
H 6.285779 0.001925 -2.409792
H 3.750756 3.509545 -1.993569
H 5.900740 2.463166 -2.759817


