%chk=000193148.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193148

0 1
O -4.988245 -1.337124 0.471621
O -6.193779 0.705331 0.398382
O 4.318235 1.985449 0.898342
O 5.743617 -0.306756 -0.255582
N -0.597177 -1.521759 -0.332870
C 0.054788 -0.317007 0.285646
C -0.597674 0.936379 -0.378173
C -2.016578 -1.646739 0.129700
C 1.563853 -0.318784 0.129047
C 0.165552 -2.779267 -0.062210
C -2.096436 0.911467 -0.159690
C -2.744575 -0.334946 0.064369
C 1.512094 -2.666790 -0.793079
C 2.261357 -1.440077 -0.361629
C -0.291046 1.019125 -1.875998
C -4.116074 -0.276649 0.236544
C 2.279538 0.821853 0.522128
C -2.817060 2.107832 -0.197669
C 3.660307 -1.420416 -0.451636
C -4.838927 0.946747 0.193863
C -4.216925 2.156977 -0.020800
C 3.672651 0.848097 0.421991
C 4.369354 -0.282363 -0.057927
C -6.324250 -0.742920 0.569310
C 5.024448 2.727263 -0.134853
C 6.524438 -0.105819 0.955061
H -0.153087 -0.268027 1.392725
H -0.173888 1.842429 0.126403
H -2.111730 -2.061081 1.161463
H -2.516549 -2.375878 -0.555501
H -0.411795 -3.638063 -0.467534
H 0.328369 -2.975047 1.019429
H 1.333983 -2.604874 -1.891321
H 2.107558 -3.585072 -0.627531
H -0.643026 0.113752 -2.393597
H -0.775647 1.881503 -2.342303
H 0.787702 1.089059 -2.055554
H 1.768399 1.704160 0.908640
H -2.289891 3.045696 -0.374908
H 4.212691 -2.280564 -0.827510
H -4.764541 3.093283 -0.054276
H -6.701986 -0.930056 1.582736
H -6.926076 -1.128390 -0.263995
H 4.298930 3.159998 -0.828626
H 5.735630 2.077491 -0.657443
H 5.534817 3.503611 0.444261
H 6.417751 -0.984112 1.597267
H 6.211509 0.806953 1.475487
H 7.542694 -0.019475 0.562101


%chk=000193148-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193148

0 1
O -5.001858 -1.388954 0.565973
O -6.290132 0.633669 0.381527
O 4.405128 2.012871 0.916181
O 5.816656 -0.282722 -0.245970
N -0.613114 -1.491779 -0.254314
C 0.045518 -0.270926 0.282420
C -0.618905 0.967094 -0.406969
C -1.995720 -1.617346 0.243477
C 1.567188 -0.292514 0.120782
C 0.161524 -2.739221 -0.097599
C -2.130858 0.926653 -0.183867
C -2.768568 -0.319764 0.100450
C 1.473441 -2.626262 -0.890332
C 2.253386 -1.401249 -0.443387
C -0.278532 1.042697 -1.918201
C -4.156525 -0.281456 0.271880
C 2.318176 0.825177 0.561609
C -2.898246 2.115131 -0.281055
C 3.665109 -1.368281 -0.541371
C -4.910388 0.899533 0.166207
C -4.307813 2.129584 -0.108860
C 3.719555 0.866490 0.440814
C 4.408201 -0.257451 -0.100123
C -6.380367 -0.830795 0.617319
C 5.136233 2.761616 -0.132858
C 6.566596 -0.236076 1.031068
H -0.165750 -0.178286 1.382798
H -0.227342 1.880989 0.084337
H -2.020580 -1.928975 1.322985
H -2.508531 -2.419844 -0.320588
H -0.452317 -3.572263 -0.488986
H 0.386386 -2.966874 0.976293
H 1.225816 -2.550874 -1.967248
H 2.082748 -3.539767 -0.754288
H -0.586137 0.106978 -2.415723
H -0.810850 1.885047 -2.394750
H 0.806396 1.183493 -2.072619
H 1.826288 1.697700 1.005553
H -2.383369 3.058936 -0.494678
H 4.214638 -2.222946 -0.951618
H -4.891859 3.049855 -0.183821
H -6.800866 -1.008515 1.622292
H -6.983078 -1.288736 -0.186873
H 4.423427 3.171809 -0.873437
H 5.871465 2.112192 -0.641351
H 5.644472 3.584194 0.393273
H 6.356409 -1.144469 1.627191
H 6.300556 0.663885 1.614326
H 7.629695 -0.212847 0.746433


