%chk=000193272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193272

0 1
O 2.231501 1.749512 1.224947
O 4.333086 0.696099 2.502469
O -2.246869 0.634091 1.727106
O -2.498961 -1.100055 -2.028479
N 4.495455 -0.683731 -0.937136
C 4.435669 0.750415 1.079569
C 4.149347 -0.656453 0.514318
C 4.284829 -2.044599 -1.550873
C 3.504820 1.840446 0.522617
C 5.294243 -2.249535 -2.688889
C 2.846315 -2.128952 -2.074476
C -1.185786 0.011686 -0.397577
C -1.144498 0.587730 0.885291
C 1.159738 1.148579 0.621953
C 0.008558 1.161466 1.426140
C -3.575225 -0.506381 0.002527
C -2.423323 -0.585829 -0.929561
C -3.443062 0.087370 1.264385
C -0.001580 0.022613 -1.164690
C 1.167515 0.578252 -0.667711
C -4.835552 -1.024493 -0.351996
C -4.506112 0.183620 2.177526
C -5.904877 -0.941327 0.535140
C -5.738113 -0.338799 1.795007
H 5.503093 1.039131 0.920311
H 3.071191 -0.907372 0.627638
H 4.704643 -1.401766 1.127330
H 4.436770 -2.858394 -0.791468
H 5.474077 -0.396528 -1.058759
H 3.382221 1.772545 -0.573370
H 3.837556 2.855508 0.814998
H 5.110545 -3.197920 -3.207591
H 5.219653 -1.455196 -3.442557
H 6.327165 -2.272620 -2.327826
H 2.115973 -2.013340 -1.265137
H 2.655312 -3.091242 -2.560247
H 2.642519 -1.339334 -2.808163
H 0.012129 1.608348 2.417161
H -0.028400 -0.423526 -2.166047
H 2.087905 0.562354 -1.259193
H 3.384916 0.718844 2.781640
H -4.949839 -1.490479 -1.336366
H -4.352502 0.654666 3.146096
H -6.877372 -1.343412 0.255989
H -6.585470 -0.280290 2.480657


%chk=000193272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193272

0 1
O 2.288636 1.457469 1.471689
O 4.806630 0.710831 2.517111
O -2.396006 0.693144 1.711913
O -2.513908 -1.164515 -2.068803
N 4.428428 -0.626536 -0.997794
C 4.628787 0.769352 1.060406
C 4.415372 -0.649002 0.486979
C 4.506058 -1.969380 -1.655166
C 3.522039 1.778996 0.707447
C 4.805801 -1.764548 -3.153573
C 3.201376 -2.768472 -1.455876
C -1.226675 -0.074932 -0.332547
C -1.222947 0.544366 0.950216
C 1.163736 0.933992 0.815576
C -0.047338 1.052870 1.529006
C -3.688843 -0.420487 -0.085451
C -2.475702 -0.599643 -0.926506
C -3.609342 0.211095 1.185471
C 0.014646 -0.180738 -1.014820
C 1.207704 0.307271 -0.464531
C -4.958920 -0.874533 -0.531443
C -4.749814 0.391914 1.997788
C -6.103578 -0.703209 0.263789
C -5.995383 -0.067836 1.531683
H 5.588877 1.174454 0.680992
H 3.444137 -1.045252 0.839567
H 5.210995 -1.299473 0.919323
H 5.341603 -2.564826 -1.206938
H 5.216238 -0.047972 -1.332939
H 3.324945 1.807880 -0.377621
H 3.810510 2.780338 1.069557
H 4.885223 -2.737379 -3.669764
H 3.996369 -1.181528 -3.629444
H 5.759498 -1.222703 -3.306397
H 2.978213 -2.940323 -0.388075
H 3.286471 -3.756828 -1.942700
H 2.346103 -2.232493 -1.904293
H -0.072349 1.539273 2.506635
H 0.005126 -0.673362 -1.993050
H 2.162409 0.162795 -0.987715
H 3.901493 0.645498 2.921637
H -5.001834 -1.357999 -1.513083
H -4.641037 0.883464 2.968805
H -7.078001 -1.056344 -0.088427
H -6.886541 0.067013 2.154071


