%chk=000195552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195552

0 1
O 2.460582 -0.580494 -0.306086
O -3.525265 -2.322429 -0.497144
O -3.890112 0.158478 -0.722844
O 2.519067 -1.831300 1.572646
O -2.517832 1.664451 0.229666
O 1.505497 1.835908 -2.634361
O -0.157637 0.494536 -2.308998
N 0.656257 1.313948 -1.926174
C -0.423698 -0.458200 0.248493
C 0.442516 -1.547657 0.351721
C -0.040196 -2.879301 0.172642
C -1.803471 -0.645554 -0.021866
C 0.105662 0.913054 0.505799
C -2.255466 -1.975013 -0.220113
C -1.383797 -3.079479 -0.106197
C 1.884123 -1.363930 0.652576
C 0.617332 1.743452 -0.505750
C 0.890026 -4.034193 0.277650
C 0.118831 1.375839 1.831975
C 3.903224 -0.242603 -0.193432
C -2.681364 0.520999 -0.120304
C 1.126756 3.017389 -0.202555
C 0.616451 2.645334 2.132885
C 1.120374 3.466769 1.117036
C 4.225879 0.232787 -1.597174
C 4.051810 0.820593 0.880275
C -4.910537 1.182511 -0.850987
H -1.793715 -4.078991 -0.257455
H 0.375572 -5.004003 0.316883
H 1.579779 -4.070883 -0.581811
H 1.523380 -3.968613 1.183717
H -0.274077 0.740007 2.628230
H 4.432522 -1.182520 0.076633
H 1.526928 3.644923 -1.006047
H 0.610055 2.998581 3.165702
H 1.504363 4.458894 1.355782
H 5.259110 0.586440 -1.675335
H 4.080655 -0.566236 -2.336308
H 3.565160 1.058622 -1.911417
H 5.074244 1.212786 0.917475
H 3.816932 0.412052 1.873977
H 3.376804 1.668616 0.706473
H -4.166487 -1.538281 -0.625244
H -4.448379 2.156335 -1.058279
H -5.479983 1.211603 0.082257
H -5.510474 0.833472 -1.698014


%chk=000195552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195552

0 1
O 2.482830 -0.478274 -0.343345
O -3.627555 -2.378675 -0.437738
O -4.086556 0.083301 -0.523493
O 2.567122 -1.992447 1.426760
O -2.432823 1.692189 -0.280423
O 1.460962 2.117071 -2.733449
O -0.144706 0.536954 -2.402916
N 0.634306 1.470476 -1.974883
C -0.434103 -0.472142 0.129433
C 0.443793 -1.575312 0.278397
C -0.051951 -2.923170 0.193850
C -1.834501 -0.687932 -0.105254
C 0.078650 0.917929 0.416011
C -2.312845 -2.039579 -0.202374
C -1.416885 -3.123118 -0.049363
C 1.908331 -1.381331 0.546249
C 0.589180 1.829388 -0.542790
C 0.858124 -4.126332 0.339186
C 0.107487 1.330432 1.771267
C 3.965968 -0.201286 -0.194973
C -2.725527 0.477494 -0.293547
C 1.072379 3.106285 -0.189394
C 0.580952 2.606853 2.144833
C 1.056758 3.503847 1.161487
C 4.412643 0.297018 -1.570703
C 4.178865 0.807064 0.943001
C -5.047080 1.185395 -0.765903
H -1.829382 -4.132301 -0.134489
H 0.298983 -5.060182 0.166638
H 1.697390 -4.087246 -0.379550
H 1.314168 -4.157345 1.343391
H -0.256892 0.637798 2.537210
H 4.440746 -1.166521 0.063280
H 1.450546 3.762570 -0.977704
H 0.576777 2.898286 3.200620
H 1.415693 4.498899 1.442985
H 5.495098 0.519665 -1.552811
H 4.225084 -0.465471 -2.345725
H 3.868105 1.214563 -1.854830
H 5.257597 1.027275 1.044169
H 3.819851 0.399134 1.902573
H 3.649241 1.752112 0.731262
H -4.165144 -1.525339 -0.540173
H -4.742119 1.756680 -1.657170
H -5.076496 1.854514 0.108828
H -6.015660 0.689513 -0.921833


