%chk=000226193.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226193

0 1
O -0.514355 2.768068 2.659371
O -2.761735 0.127118 3.517716
N -5.025973 0.064311 -0.589070
N -3.028040 1.870657 2.051178
C -3.775872 0.541740 0.080585
C -4.892835 0.037833 -2.074500
C -5.484502 -1.245611 -0.017752
C -4.203143 1.282323 1.368679
C -3.818583 -0.893446 -2.643333
C -6.962228 -1.469311 -0.341211
C 2.730260 0.994746 -1.635248
C -2.365683 1.185050 3.055270
C 1.874465 1.428516 -0.475693
C -1.117094 1.873836 3.615128
C 3.826995 0.048650 -1.218603
C 0.267859 2.220028 1.650250
C 1.722094 2.794334 -0.177582
C 1.214052 0.470726 0.307365
C 0.919854 3.203227 0.884010
C 0.401238 0.855458 1.377312
C 3.933798 -1.216930 -1.812912
C 4.758835 0.438733 -0.243403
C 4.965765 -2.081989 -1.435934
C 5.786174 -0.429995 0.129907
C 5.893151 -1.691717 -0.465864
H -3.063673 -0.274543 0.326998
H -3.229255 1.238641 -0.589549
H -5.888432 -0.240333 -2.489101
H -4.703000 1.082801 -2.407634
H -4.879455 -2.105917 -0.377654
H -5.354037 -1.209311 1.088294
H -4.722502 0.579826 2.064527
H -4.926771 2.092707 1.129016
H -2.814201 -0.614558 -2.308407
H -3.985952 -1.934383 -2.342974
H -3.817273 -0.867144 -3.738351
H -7.557961 -0.580630 -0.092488
H -7.123185 -1.678737 -1.404183
H -7.363835 -2.312065 0.231098
H -2.616415 2.706976 1.639719
H 2.080077 0.532310 -2.410112
H 3.190120 1.872523 -2.140821
H -0.388119 1.130707 3.986499
H -1.384021 2.567279 4.439742
H 2.236874 3.544212 -0.778116
H 1.340869 -0.590057 0.084731
H 0.794596 4.254338 1.133470
H -0.105158 0.099453 1.972619
H 3.216797 -1.530716 -2.568037
H 4.672668 1.417199 0.226317
H 5.045270 -3.063463 -1.900533
H 6.505792 -0.124512 0.887900
H 6.694781 -2.366256 -0.173736


%chk=000226193-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226193

0 1
O -0.608152 3.003332 2.649008
O -2.898264 0.268192 3.562216
N -5.043222 -0.070265 -0.592413
N -3.051115 1.951106 1.940530
C -3.841669 0.542552 0.014716
C -5.043968 -0.090622 -2.075824
C -5.441025 -1.342438 0.064544
C -4.227407 1.395039 1.254143
C -4.009218 -1.031343 -2.754452
C -6.900490 -1.744680 -0.219105
C 3.031782 1.238353 -1.491055
C -2.462627 1.327970 3.015043
C 2.092670 1.667153 -0.363781
C -1.225908 2.051756 3.585265
C 3.955062 0.064326 -1.168101
C 0.274640 2.484577 1.667970
C 1.888359 3.041294 -0.074761
C 1.366735 0.714799 0.392979
C 0.991290 3.454439 0.930576
C 0.458644 1.106129 1.401769
C 4.057766 -1.037642 -2.053309
C 4.754411 0.066521 0.005038
C 4.939460 -2.109641 -1.781132
C 5.636702 -1.000511 0.280578
C 5.733982 -2.094010 -0.612810
H -3.080212 -0.210473 0.327360
H -3.354408 1.197741 -0.732935
H -6.060531 -0.360651 -2.417085
H -4.870105 0.947036 -2.420551
H -4.760668 -2.185450 -0.214824
H -5.318531 -1.202760 1.154524
H -4.768141 0.769566 1.984371
H -4.897221 2.213782 0.937633
H -2.976411 -0.774522 -2.454467
H -4.187430 -2.090471 -2.494290
H -4.075781 -0.940089 -3.854837
H -7.582352 -0.917742 0.046955
H -7.065108 -1.999608 -1.281748
H -7.172651 -2.632790 0.380483
H -2.589771 2.788112 1.573173
H 2.430901 0.975652 -2.385215
H 3.644959 2.113702 -1.785793
H -0.502436 1.295244 3.938220
H -1.539914 2.668332 4.444762
H 2.443338 3.800656 -0.639373
H 1.514722 -0.353274 0.196076
H 0.842332 4.513373 1.163436
H -0.093680 0.339291 1.953689
H 3.443461 -1.056996 -2.962557
H 4.676840 0.906512 0.705962
H 5.003872 -2.953631 -2.477413
H 6.247859 -0.981158 1.190262
H 6.417723 -2.923067 -0.398551


