%chk=000201713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201713

0 1
O 4.828077 -1.736100 0.004357
O 5.392588 0.352789 0.000842
N -0.770118 1.170321 -0.002472
N 1.510782 1.610115 -0.002553
N -1.835826 0.301760 -0.001114
N 4.562517 -0.544144 0.002175
C 0.520101 0.634111 -0.001087
C -4.206372 -0.122693 -0.000927
C 0.817384 -0.755462 0.001498
C 3.155820 -0.159521 0.001088
C 2.143916 -1.145215 0.002576
C 2.793364 1.209508 -0.001475
C -3.044363 0.797762 -0.002364
C -5.443424 0.410662 0.002004
C -3.920240 -1.588171 -0.002943
C -6.711015 -0.368406 0.003659
H 0.005740 -1.485593 0.002585
H 2.427071 -2.205271 0.004567
H 3.566927 1.997756 -0.002653
H -0.878930 2.195152 -0.004340
H -3.293893 1.871445 -0.004436
H -5.590690 1.493405 0.003286
H -4.835683 -2.196160 -0.000161
H -3.326366 -1.876524 0.877687
H -3.332554 -1.875195 -0.888126
H -7.318145 -0.134567 -0.883547
H -7.319591 -0.128893 0.888323
H -6.548078 -1.457069 0.007251


%chk=000201713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201713

0 1
O 4.965722 -1.678735 -0.002727
O 5.478955 0.551573 -0.003898
N -0.767548 1.038302 0.000305
N 1.475587 1.601505 -0.000104
N -1.823606 0.149529 0.000770
N 4.626550 -0.426080 0.000752
C 0.543373 0.590747 0.000479
C -4.223895 -0.197971 0.000495
C 0.880406 -0.797603 0.001130
C 3.202613 -0.100629 0.000644
C 2.235626 -1.140666 0.001178
C 2.783446 1.252644 -0.000035
C -3.042265 0.664536 0.000344
C -5.456154 0.416879 -0.000365
C -3.994595 -1.696245 0.001541
C -6.815733 -0.229738 -0.000527
H 0.085471 -1.545033 0.001545
H 2.569033 -2.181567 0.001672
H 3.521702 2.059290 -0.000470
H -0.897935 2.062539 -0.000236
H -3.213394 1.760110 -0.000726
H -5.467437 1.518882 -0.001209
H -4.937785 -2.263037 0.002737
H -3.403277 -1.995304 0.885713
H -3.404791 -1.996773 -0.883163
H -7.397408 0.086067 -0.889005
H -7.400733 0.092614 0.883347
H -6.772928 -1.330036 0.003511


