%chk=000216094.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216094

0 1
O 5.293347 0.064505 -0.538414
N -1.338574 0.047871 0.251316
C -0.801169 1.449011 0.223248
C -1.663844 -0.520706 -1.087549
C -2.425662 -0.085351 1.274231
C 0.562962 1.473703 -0.507011
C -3.115824 -0.386035 -1.582018
C -3.097463 -1.467701 1.267145
C -3.997370 -1.558143 -1.132497
C -4.335474 -1.523727 0.363241
C 1.621310 0.647479 0.234657
C 2.968661 0.684052 -0.491355
C -1.744695 2.492125 -0.401999
C 4.069744 -0.130083 0.221905
C 3.758710 -1.628814 0.265388
C 4.440106 0.427541 1.594895
H -0.624817 1.738105 1.295149
H -1.389581 -1.600079 -1.029359
H -0.974583 -0.075032 -1.840693
H -3.201413 0.706205 1.175209
H -1.933765 0.070734 2.262311
H 0.901799 2.522049 -0.605765
H 0.443973 1.094205 -1.541649
H -3.117516 -0.334749 -2.687490
H -3.554462 0.568803 -1.238024
H -3.392593 -1.723114 2.303626
H -2.366792 -2.244816 0.967668
H -3.497609 -2.515655 -1.378641
H -4.938929 -1.552931 -1.716079
H -4.993088 -0.658504 0.576332
H -4.931731 -2.422127 0.618291
H 1.263855 -0.398706 0.334420
H 1.735578 1.024687 1.268962
H 3.319944 1.730279 -0.594765
H 2.848886 0.313450 -1.526310
H -2.730420 2.475727 0.074874
H -1.895291 2.316588 -1.472063
H -1.345352 3.505040 -0.289909
H 3.431654 -2.012930 -0.705060
H 2.963200 -1.851414 0.985465
H 4.645020 -2.199571 0.567835
H 4.720527 1.485984 1.523089
H 5.312031 -0.098524 2.004044
H 3.615991 0.336418 2.307371
H 5.243220 -0.357049 -1.410520


%chk=000216094-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216094

0 1
O 5.361264 -0.041066 -0.521386
N -1.398896 0.130013 0.107210
C -0.829482 1.509210 0.126625
C -1.775341 -0.417341 -1.217901
C -2.301247 -0.136047 1.251918
C 0.592620 1.558811 -0.495091
C -3.279525 -0.379885 -1.627458
C -2.960930 -1.535436 1.259949
C -4.081686 -1.593999 -1.102365
C -4.267409 -1.630208 0.431877
C 1.616811 0.685169 0.260001
C 2.994385 0.649902 -0.439350
C -1.750817 2.593289 -0.505038
C 4.100744 -0.176763 0.272024
C 3.734289 -1.674119 0.375278
C 4.479772 0.405754 1.644220
H -0.714434 1.759318 1.202818
H -1.443014 -1.475941 -1.287453
H -1.183338 0.131465 -1.973133
H -3.127718 0.619255 1.329719
H -1.694556 -0.021847 2.173723
H 0.933702 2.614584 -0.505420
H 0.547887 1.241126 -1.557745
H -3.333467 -0.379950 -2.735485
H -3.743902 0.567017 -1.288903
H -3.206611 -1.776671 2.313146
H -2.227723 -2.297299 0.928694
H -3.562121 -2.519984 -1.428152
H -5.081903 -1.612237 -1.580549
H -4.931548 -0.795092 0.738835
H -4.799467 -2.565597 0.699302
H 1.192297 -0.332419 0.351483
H 1.731152 1.078054 1.290824
H 3.379953 1.682135 -0.563823
H 2.858999 0.238534 -1.464917
H -2.760914 2.571431 -0.055619
H -1.856712 2.442080 -1.595709
H -1.331340 3.604401 -0.345740
H 3.478762 -2.090015 -0.619107
H 2.866434 -1.834366 1.039755
H 4.591668 -2.241129 0.778815
H 4.743133 1.473448 1.545786
H 5.358488 -0.128587 2.045104
H 3.649424 0.307627 2.364721
H 5.184817 -0.377826 -1.437983


