%chk=000180903.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180903

0 1
O -1.813037 -3.084113 -2.141264
O 1.140090 -0.160412 1.377727
N 1.943904 -0.401975 -0.771972
N -0.550192 -3.227789 -1.564615
C 2.552791 0.964002 -0.967592
C 3.910573 0.968412 -0.254662
C 1.637923 2.057318 -0.399691
C 2.675327 1.167847 -2.490119
C 0.792180 -2.281838 0.309655
C 1.302941 -0.839564 0.376472
C -0.415202 -2.380788 -0.542296
C -1.637700 -1.592932 -0.395720
C 3.945966 0.985594 1.149888
C 5.120071 0.945216 -0.961066
C -2.484667 -2.080591 -1.424732
C -2.082353 -0.570928 0.448307
C -3.370718 -0.072463 0.240175
C 5.164259 0.992906 1.830935
C 6.341547 0.953871 -0.278136
C -3.776728 -1.598688 -1.646415
C -4.201168 -0.586919 -0.793038
C 6.367862 0.979724 1.118032
C -3.889792 1.010508 1.104266
C -4.349845 2.208341 0.533935
C -3.922508 0.844569 2.498062
C -4.838167 3.228961 1.353542
C -4.414190 1.868813 3.311277
C -4.872418 3.061185 2.741710
H 2.031944 -1.039201 -1.564107
H 0.670476 2.088611 -0.911828
H 1.418864 1.896762 0.670086
H 2.103163 3.044441 -0.490375
H 1.692545 1.145809 -2.977877
H 3.301622 0.411019 -2.974885
H 3.115920 2.148425 -2.712353
H 1.591830 -2.981597 -0.020423
H 0.540016 -2.605817 1.350628
H 3.007669 0.982873 1.717491
H 5.131758 0.919936 -2.049135
H -1.428696 -0.176192 1.232207
H 5.175395 1.007471 2.919599
H 7.273585 0.939422 -0.839905
H -4.404619 -1.997222 -2.438093
H -5.204792 -0.171581 -0.910356
H 7.317743 0.987551 1.648370
H -4.317134 2.344689 -0.545467
H -3.567522 -0.083437 2.944012
H -5.191365 4.158306 0.909424
H -4.438952 1.737320 4.392141
H -5.253495 3.857745 3.377782


%chk=000180903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180903

0 1
O -1.027784 -0.657933 -2.279870
O 2.439772 1.847986 1.582480
N 2.453493 0.946781 -0.594407
N 0.101774 -0.222561 -1.433266
C 3.815881 1.350027 -1.094472
C 4.898588 0.395667 -0.519439
C 4.136994 2.821665 -0.711993
C 3.709033 1.264549 -2.638331
C 0.453431 0.675038 0.873204
C 1.887451 1.217983 0.623321
C -0.414745 0.184012 -0.257605
C -1.861386 0.041244 -0.241732
C 5.145163 0.376559 0.881889
C 5.668773 -0.461033 -1.346033
C -2.192648 -0.481741 -1.517163
C -2.881468 0.310544 0.699952
C -4.226106 0.043043 0.345307
C 6.127834 -0.473915 1.431015
C 6.656399 -1.311916 -0.796290
C -3.512831 -0.760317 -1.909497
C -4.513712 -0.490393 -0.957100
C 6.891483 -1.322944 0.595622
C -5.336490 0.305215 1.307457
C -6.603716 0.764028 0.853420
C -5.153950 0.108943 2.704298
C -7.652002 1.017370 1.763458
C -6.200296 0.364780 3.615667
C -7.455822 0.819669 3.149878
H 1.883287 0.386958 -1.251530
H 3.363796 3.497255 -1.121175
H 4.173176 2.962664 0.377561
H 5.114644 3.098852 -1.144752
H 2.928221 1.961063 -2.990378
H 3.442285 0.248240 -2.982989
H 4.663104 1.554009 -3.110064
H 0.569132 -0.141837 1.614479
H -0.075663 1.484014 1.408493
H 4.552954 1.022083 1.539214
H 5.509943 -0.475657 -2.428650
H -2.642880 0.745077 1.675949
H 6.298271 -0.472488 2.513826
H 7.239536 -1.963557 -1.457416
H -3.747985 -1.173178 -2.893356
H -5.553323 -0.723109 -1.210920
H 7.656589 -1.980806 1.023439
H -6.760745 0.955423 -0.214296
H -4.198194 -0.277618 3.076824
H -8.617463 1.378619 1.392183
H -6.039974 0.198524 4.686642
H -8.269117 1.016715 3.856745


