%chk=000194522.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194522

0 1
O -0.556737 0.501205 1.404337
O 0.627270 -3.203549 -0.718768
O 2.981588 -1.687925 -1.219567
N -1.742304 -1.013188 0.247795
N 1.329524 -1.265909 0.350017
N 3.259927 1.346411 -0.318993
C -0.944915 -2.142244 0.805174
C -1.819648 -3.392916 0.599803
C -2.847562 -1.514003 -0.619721
C -2.791647 -3.048900 -0.542298
C -2.385223 1.469343 0.126900
C -1.507495 0.298122 0.642989
C 0.399084 -2.284139 0.028447
C -1.811337 2.764836 0.724031
C -3.826336 1.282374 0.616258
C -2.304321 1.536211 -1.402583
C 2.606893 -1.045273 -0.276268
C 3.420312 0.058936 0.445589
C 4.883746 -0.392021 0.431992
C 1.818824 1.714742 -0.466045
C 3.996230 2.455381 0.360403
H -0.727786 -1.960793 1.889780
H -1.202025 -4.277188 0.340508
H -2.363186 -3.642333 1.527217
H -3.824758 -1.117031 -0.254494
H -2.699791 -1.145965 -1.660257
H -2.421272 -3.473565 -1.496152
H -3.788938 -3.484798 -0.368899
H -2.411431 3.635770 0.444659
H -1.771876 2.717068 1.820828
H -0.781813 2.942122 0.388901
H -4.290482 0.364267 0.228417
H -4.458457 2.120931 0.299160
H -3.875823 1.239322 1.711628
H -1.265805 1.621839 -1.747989
H -2.738766 0.657790 -1.894442
H -2.840979 2.414031 -1.783839
H 1.005506 -0.541779 1.032643
H 3.077854 0.153893 1.510282
H 4.998220 -1.391474 0.867714
H 5.530369 0.294914 0.987047
H 5.262745 -0.444171 -0.602560
H 1.359506 1.038165 -1.207100
H 1.739266 2.730378 -0.883665
H 1.222857 1.678499 0.462665
H 3.652738 2.684366 1.379445
H 3.902073 3.366823 -0.252677
H 5.070583 2.210923 0.398086


%chk=000194522-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194522

0 1
O -0.532488 0.387213 1.481604
O 0.691610 -3.303919 -0.783797
O 3.180338 -1.743243 -1.030698
N -1.757229 -1.042929 0.169221
N 1.288551 -1.287627 0.310954
N 3.516361 1.246851 -0.535985
C -0.960540 -2.205495 0.700539
C -1.866263 -3.417722 0.426636
C -2.807762 -1.514068 -0.787459
C -2.570932 -3.040991 -0.898515
C -2.470032 1.425179 0.372975
C -1.532463 0.220167 0.682763
C 0.423625 -2.343084 -0.021018
C -1.772423 2.709164 0.899402
C -3.803791 1.230167 1.156870
C -2.751714 1.623219 -1.145364
C 2.595550 -1.035182 -0.179585
C 3.256797 0.202901 0.491018
C 4.552322 -0.284363 1.178698
C 2.290699 1.633624 -1.266567
C 4.230314 2.428199 -0.009371
H -0.772306 -2.023490 1.774730
H -1.275505 -4.341338 0.327770
H -2.595648 -3.535668 1.248233
H -3.814806 -1.289397 -0.389771
H -2.698720 -1.018184 -1.764923
H -1.896516 -3.264201 -1.742315
H -3.515942 -3.586972 -1.054745
H -2.453159 3.571048 0.771862
H -1.505849 2.611213 1.963443
H -0.840590 2.912549 0.341456
H -4.357742 0.329290 0.838041
H -4.459392 2.104217 0.988536
H -3.610061 1.151570 2.241592
H -1.824063 1.548379 -1.742460
H -3.488428 0.909395 -1.546772
H -3.165733 2.636408 -1.298312
H 0.853780 -0.575562 0.941978
H 2.555951 0.594212 1.277481
H 4.332228 -1.139147 1.843059
H 5.010764 0.506976 1.794945
H 5.269336 -0.617593 0.409947
H 1.867201 0.755796 -1.784764
H 2.547962 2.383186 -2.035423
H 1.496399 2.069670 -0.605229
H 3.683043 2.949131 0.818390
H 4.371355 3.152107 -0.831408
H 5.230314 2.147840 0.358732


