%chk=000189018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189018

0 1
O -0.911125 0.025676 -0.764059
O -0.678169 -1.709643 0.670185
O 6.161327 -0.148411 0.609271
O 5.758736 1.485876 -0.750919
N -4.504943 0.226477 0.164216
N 5.413444 0.539612 -0.064070
C -3.033607 0.338165 0.406175
C -5.047671 -1.053120 0.734518
C -5.252738 1.422413 0.673859
C -2.355491 -0.208170 -0.856717
C -6.372139 -1.402475 0.055224
C -4.981325 2.633139 -0.219739
C -0.175684 -0.810070 0.036217
C 1.268455 -0.434935 -0.011336
C 2.169429 -1.197955 0.747867
C 1.715732 0.643093 -0.788006
C 3.965591 0.198368 -0.045852
C 3.528684 -0.882215 0.733196
C 3.074023 0.965585 -0.808114
H -2.679266 -0.218267 1.301670
H -2.727568 1.395490 0.561863
H -4.312237 -1.866095 0.537773
H -5.180708 -1.009821 1.837107
H -6.340680 1.183364 0.641608
H -5.012106 1.662416 1.731866
H -2.609559 0.367891 -1.765052
H -2.537037 -1.284439 -1.011851
H -7.171239 -0.702867 0.325236
H -6.273698 -1.367133 -1.038480
H -6.700144 -2.410118 0.330975
H -3.945320 2.980999 -0.142224
H -5.158686 2.387159 -1.275724
H -5.636356 3.469926 0.044034
H 1.799321 -2.037533 1.347123
H 0.997550 1.225768 -1.375237
H 4.249880 -1.464639 1.318250
H 3.445923 1.803988 -1.408254


%chk=000189018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189018

0 1
O -0.891640 0.195198 -0.831876
O -0.680807 -1.788725 0.383498
O 6.249182 -0.498382 0.705700
O 5.936167 1.427045 -0.476368
N -4.519964 0.330800 0.243110
N 5.499921 0.351309 0.087710
C -3.066928 0.592128 0.332606
C -4.914815 -0.973951 0.844357
C -5.371927 1.472714 0.665727
C -2.372223 -0.010187 -0.904989
C -6.171405 -1.581003 0.192681
C -5.381971 2.624246 -0.357349
C -0.165774 -0.768015 -0.137423
C 1.296107 -0.444641 -0.101124
C 2.159540 -1.352249 0.565954
C 1.821700 0.726295 -0.706956
C 4.040124 0.073620 0.021961
C 3.541174 -1.098427 0.632493
C 3.202391 0.992073 -0.648521
H -2.614192 0.164850 1.256259
H -2.881828 1.680504 0.351226
H -4.070124 -1.675709 0.711965
H -5.069306 -0.876983 1.948099
H -6.403771 1.093619 0.777458
H -5.066861 1.860666 1.670083
H -2.680326 0.511207 -1.822952
H -2.577181 -1.091375 -0.986738
H -7.055320 -0.928423 0.311777
H -6.005124 -1.733001 -0.888004
H -6.411296 -2.556157 0.655855
H -4.373891 3.053226 -0.506557
H -5.745890 2.261547 -1.334359
H -6.043032 3.441170 -0.012793
H 1.726851 -2.247132 1.023605
H 1.142955 1.413338 -1.217959
H 4.231097 -1.777589 1.139451
H 3.638985 1.883893 -1.105009


