%chk=000179111.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179111

0 1
O 1.754004 -2.349669 -1.373774
O 3.346698 -1.773169 0.077663
O -0.391651 -0.381368 1.475945
O -1.922580 0.945851 2.322683
N 2.306527 0.939245 0.205444
N -3.740385 0.731626 0.194669
C 1.762655 -0.117474 -0.641385
C 0.820821 0.172305 -1.765693
C -0.571767 -0.461335 -1.567162
C 3.655041 1.387016 -0.343316
C 1.388612 2.144510 0.270487
C 2.514296 0.461174 1.631950
C -1.661559 0.522728 -1.126853
C 2.376956 -1.384957 -0.577163
C -2.435503 0.034980 0.114293
C -1.595741 0.255682 1.385352
H -0.051640 -0.806797 0.607644
H 1.257114 -0.256710 -2.698683
H 0.732981 1.257028 -1.966655
H -0.468115 -1.305235 -0.843142
H -0.881244 -0.958410 -2.507616
H 4.354597 0.524097 -0.347258
H 4.102724 2.191794 0.251927
H 3.556662 1.717564 -1.388920
H 1.169312 2.535077 -0.739021
H 0.424534 1.860563 0.736779
H 1.828328 2.954135 0.871804
H 1.553695 0.121402 2.074829
H 2.936922 1.244102 2.272022
H 3.196440 -0.420708 1.657423
H -1.244939 1.530428 -0.945914
H -2.390619 0.661354 -1.956524
H -2.647158 -1.066958 0.018222
H 2.232972 -3.214756 -1.301170
H -3.615360 1.734279 0.315739
H -4.275831 0.403307 0.996776


%chk=000179111-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179111

0 1
O 0.888514 -2.339982 -0.789682
O 2.945345 -1.889445 0.155699
O -0.397530 0.766528 1.556307
O -2.601851 1.244204 2.096939
N 2.400332 0.945290 0.287960
N -3.606242 -0.513676 0.172619
C 1.328320 -0.043504 -0.314657
C 0.798988 0.388194 -1.712999
C -0.658878 -0.046138 -2.049020
C 3.704361 0.948312 -0.497395
C 1.828735 2.368759 0.326787
C 2.655465 0.568043 1.759150
C -1.792838 0.569857 -1.186502
C 1.843786 -1.452159 -0.283260
C -2.158044 -0.188035 0.143341
C -1.722132 0.668645 1.380922
H 0.451961 0.107677 0.475982
H 1.469144 0.011308 -2.512052
H 0.812238 1.490795 -1.777555
H -0.734140 -1.147166 -2.030895
H -0.817281 0.262539 -3.102792
H 4.164197 -0.046468 -0.418800
H 4.369783 1.716782 -0.071432
H 3.484215 1.189546 -1.548790
H 1.787491 2.789246 -0.687062
H 0.827263 2.308020 0.789283
H 2.506470 2.978915 0.945093
H 1.682342 0.617300 2.275215
H 3.362223 1.302835 2.177861
H 3.084998 -0.440175 1.797822
H -1.571732 1.637670 -0.981212
H -2.722682 0.544474 -1.782829
H -1.590988 -1.138278 0.162920
H 1.249292 -3.265061 -0.713266
H -4.106063 0.276182 0.615731
H -3.787263 -1.358333 0.731970


