%chk=000216135.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216135

0 1
O 0.190145 2.281498 1.325322
O 2.085295 3.166938 0.468062
O -2.455465 2.880973 -0.337884
N -4.121638 -0.304548 0.387822
C 1.919128 -0.275960 0.236310
C 2.081421 0.874627 1.251905
C 1.197894 -0.315588 1.574750
C 3.101008 -1.169304 0.011953
C 1.131816 -0.059513 -1.019419
C 1.513609 2.216290 0.951751
C 2.967586 -2.556245 0.168953
C 1.486326 0.965170 -1.909007
C 4.332414 -0.622029 -0.376071
C 0.051336 -0.902414 -1.316406
C 4.066161 -3.390265 -0.056359
C 0.758274 1.145974 -3.087677
C 5.426814 -1.461754 -0.599140
C -0.671909 -0.717073 -2.498137
C -0.536075 3.513176 1.029049
C 5.296143 -2.845155 -0.438667
C -0.320566 0.306405 -3.384159
C -3.917182 -0.567442 1.851748
C -5.458151 -0.813562 -0.068045
C -3.984071 -2.079123 2.125152
C -5.550702 -2.328894 0.178908
C -1.130177 3.428288 -0.377330
C -5.323049 -2.663574 1.658162
C -3.981494 1.156958 0.088614
C -2.492120 1.437026 -0.158023
H 3.051495 0.966602 1.769558
H 1.517630 -1.015485 2.345084
H 0.114900 -0.172742 1.601820
H 2.008902 -2.981533 0.460034
H 2.327458 1.621740 -1.680130
H 4.433179 0.454945 -0.507556
H -0.227395 -1.698354 -0.627494
H 3.962542 -4.467365 0.064432
H 1.035017 1.941746 -3.777849
H 6.382983 -1.036650 -0.900805
H -1.514681 -1.369771 -2.723957
H 0.140995 4.376965 1.151936
H -1.317833 3.508379 1.811842
H 6.150055 -3.496777 -0.613653
H -0.886001 0.449411 -4.303123
H -2.912110 -0.181706 2.128756
H -4.655099 -0.035200 2.490123
H -6.306939 -0.297042 0.429119
H -5.543333 -0.611008 -1.157927
H -3.152994 -2.585423 1.595001
H -3.832486 -2.269481 3.202730
H -6.535958 -2.700123 -0.155751
H -4.791697 -2.847645 -0.440420
H -6.150141 -2.260200 2.272246
H -5.334545 -3.758783 1.807630
H -0.484743 2.843973 -1.060209
H -1.309764 4.434172 -0.804714
H -4.553522 1.426951 -0.825506
H -4.362671 1.824925 0.890527
H -1.850673 1.151681 0.693483
H -2.119644 0.957918 -1.079762


%chk=000216135-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216135

0 1
O 0.238158 2.323286 0.861006
O 2.365944 3.271539 1.046905
O -2.712938 2.994555 0.060624
N -4.302990 -0.354128 0.615836
C 1.946888 -0.244510 0.176282
C 2.111877 0.867109 1.265918
C 1.170783 -0.329612 1.487032
C 3.142008 -1.165690 -0.013811
C 1.207736 0.060858 -1.113252
C 1.622890 2.258705 1.056164
C 2.942079 -2.567284 -0.093761
C 1.755001 0.971774 -2.052531
C 4.452898 -0.650121 -0.166818
C 0.004044 -0.612215 -1.433659
C 4.031394 -3.436975 -0.318576
C 1.106587 1.210743 -3.283437
C 5.544772 -1.518385 -0.392690
C -0.644220 -0.380615 -2.667898
C -0.344570 3.668061 0.578449
C 5.337574 -2.914733 -0.470196
C -0.095241 0.532147 -3.597575
C -3.943644 -0.808920 1.984619
C -5.642347 -0.863370 0.220108
C -3.920491 -2.348754 2.070044
C -5.677675 -2.404991 0.245793
C -1.457042 3.531829 -0.462181
C -5.283326 -2.939466 1.641716
C -4.181162 1.116997 0.450548
C -2.721108 1.528974 0.220379
H 3.072069 0.851984 1.789379
H 1.486366 -1.070578 2.227926
H 0.099874 -0.111266 1.460429
H 1.929727 -2.973322 0.019343
H 2.689446 1.495545 -1.817577
H 4.619217 0.431900 -0.103746
H -0.434470 -1.311381 -0.712051
H 3.863880 -4.518509 -0.375662
H 1.538700 1.920087 -3.998378
H 6.553872 -1.106612 -0.506654
H -1.576223 -0.908160 -2.899784
H 0.463921 4.332528 0.220868
H -0.746639 4.058509 1.530347
H 6.183745 -3.588833 -0.644154
H -0.596758 0.713025 -4.554954
H -2.950882 -0.400809 2.248240
H -4.674229 -0.411205 2.739865
H -6.444256 -0.468648 0.900317
H -5.865443 -0.495780 -0.798814
H -3.125214 -2.730624 1.400283
H -3.668190 -2.657016 3.103159
H -6.689859 -2.754849 -0.035282
H -4.966385 -2.788329 -0.511560
H -6.058376 -2.644880 2.379656
H -5.244557 -4.045288 1.638241
H -1.092669 2.929701 -1.321757
H -1.714934 4.546493 -0.818279
H -4.766362 1.424873 -0.435161
H -4.591834 1.680159 1.324034
H -2.071457 1.237646 1.069420
H -2.330263 1.041832 -0.695130


