%chk=000198603.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198603

0 1
O 0.776311 0.336074 -1.539379
O -2.255388 -0.893745 -0.491969
O -1.109620 0.695762 0.649533
N -5.446767 0.885830 0.188830
C 0.022514 -0.776596 -1.015241
C 0.810786 -1.756004 -0.192959
C 2.026504 -1.358594 0.402816
C 2.500327 0.010052 0.175143
C 1.840991 0.804681 -0.785330
C 0.322348 -3.056095 -0.014645
C -1.120600 -0.189914 -0.162632
C 2.745133 -2.292954 1.167913
C 3.592426 0.585002 0.846856
C 2.250853 2.106767 -1.108890
C -3.500747 -0.568859 0.201283
C -4.076767 0.722591 -0.393613
C 1.044059 -3.971970 0.752950
C 2.254669 -3.587870 1.341397
C 4.011448 1.881370 0.547016
C 3.346986 2.635954 -0.431380
C -6.373537 1.519652 -0.794772
C -5.396932 1.686677 1.448268
H -0.382641 -1.225897 -1.959354
H -0.625080 -3.349600 -0.469407
H 3.690405 -2.006024 1.627233
H 4.117045 0.009656 1.610783
H 1.710572 2.673712 -1.863485
H -4.118421 -1.457507 -0.022223
H -3.300470 -0.492379 1.282409
H -3.392131 1.574897 -0.187151
H -4.123403 0.626322 -1.499568
H 0.665274 -4.982763 0.893477
H 2.818097 -4.304444 1.938868
H 4.858563 2.312642 1.076307
H 3.685908 3.646899 -0.658967
H -6.460136 0.867028 -1.678554
H -6.079402 2.524980 -1.129443
H -7.378099 1.586519 -0.345810
H -5.080863 2.732623 1.320731
H -4.705612 1.206708 2.159628
H -6.396602 1.680120 1.911629


%chk=000198603-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198603

0 1
O 0.976362 0.366536 -1.680727
O -2.183471 -0.865497 -0.455629
O -0.988411 0.989543 0.327044
N -5.433059 0.917272 0.319417
C 0.092069 -0.689483 -1.175234
C 0.823045 -1.744475 -0.351048
C 1.977531 -1.359000 0.390081
C 2.476894 0.028600 0.259265
C 1.966150 0.841222 -0.791892
C 0.336381 -3.067627 -0.296883
C -1.052660 -0.056087 -0.349449
C 2.626854 -2.345785 1.179598
C 3.484039 0.588710 1.088333
C 2.468000 2.131703 -1.047778
C -3.379768 -0.453082 0.343693
C -4.265993 0.495343 -0.485776
C 0.982987 -4.031840 0.506530
C 2.131669 -3.663708 1.246302
C 3.984631 1.885861 0.858877
C 3.483421 2.654349 -0.220426
C -6.653352 1.150236 -0.477842
C -5.137249 2.043938 1.229876
H -0.356918 -1.143293 -2.072820
H -0.558389 -3.336550 -0.869560
H 3.536590 -2.088762 1.731653
H 3.877835 0.006018 1.928035
H 2.044755 2.708118 -1.875434
H -3.907733 -1.391527 0.567045
H -3.033941 0.026206 1.275399
H -3.653124 1.357846 -0.841620
H -4.623273 -0.047039 -1.379528
H 0.600775 -5.057104 0.551268
H 2.646303 -4.406987 1.865145
H 4.758361 2.297856 1.514960
H 3.869675 3.662214 -0.407080
H -6.891999 0.250386 -1.071827
H -6.571897 2.019415 -1.178311
H -7.503863 1.343485 0.200873
H -4.950732 3.004119 0.686904
H -4.243470 1.823881 1.837797
H -5.987023 2.196293 1.919069


