%chk=000210723.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210723

0 1
O -2.731321 -1.505415 -0.732224
O -4.635080 2.458863 1.034820
O 5.632623 -1.303128 1.276558
N 0.721745 0.271164 0.626581
N 3.495459 -0.029488 -0.166839
C -3.128306 0.444373 0.801250
C -3.606091 -0.959310 0.257577
C -4.108762 1.483753 0.126673
C -1.681760 0.779555 0.408037
C -4.984022 -0.713568 -0.314668
C -5.278233 0.665774 -0.368658
C -3.316921 0.461962 2.319642
C -0.655139 -0.232655 0.948572
C 1.101843 -0.060062 -0.786064
C 1.736685 -0.313979 1.564499
C -5.907379 -1.652127 -0.751863
C -6.503136 1.118031 -0.837464
C 2.481935 0.550921 -1.104865
C 3.124512 0.278569 1.256418
C -7.145872 -1.197539 -1.237852
C -7.441147 0.166655 -1.274682
C 4.868971 0.270504 -0.467948
C 5.895586 -0.450694 0.203598
C 5.268542 1.180484 -1.463500
C 7.246149 -0.265241 -0.101123
C 6.620353 1.359149 -1.774673
C 7.610233 0.647845 -1.094768
C 5.027173 -2.568033 0.894491
H -3.584948 -1.745808 1.042159
H -3.619215 2.037197 -0.705134
H -1.416093 1.791397 0.777762
H -1.591234 0.833859 -0.694781
H -4.385071 0.439152 2.583294
H -2.832629 -0.392900 2.803946
H -2.895544 1.366145 2.773076
H -0.760488 -0.316752 2.051058
H -0.865504 -1.242909 0.527664
H 0.342419 0.382201 -1.465396
H 1.120475 -1.154858 -0.982492
H 1.782267 -1.423594 1.514482
H 1.451156 -0.039227 2.602847
H -5.680109 -2.715931 -0.720658
H -6.733771 2.182048 -0.851134
H -2.766451 -0.983803 -1.559772
H -3.906733 2.899718 1.517821
H 2.766171 0.285839 -2.146063
H 2.423360 1.659838 -1.036080
H 3.121603 1.372916 1.452677
H 3.886135 -0.181205 1.930986
H -7.882356 -1.921056 -1.584194
H -8.409578 0.502037 -1.643866
H 4.528653 1.769885 -2.000589
H 7.996173 -0.834715 0.445810
H 6.899585 2.068827 -2.552194
H 8.660058 0.798118 -1.335787
H 5.721336 -3.127892 0.263142
H 4.072445 -2.398861 0.384317
H 4.884443 -3.056631 1.863472


%chk=000210723-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210723

0 1
O -2.583763 -0.946553 -1.364247
O -4.634368 2.477479 1.166404
O 5.679437 -1.211104 1.392690
N 0.770256 0.354568 0.777010
N 3.523457 0.080857 -0.094039
C -3.127161 0.417360 0.751124
C -3.434323 -0.849927 -0.146058
C -4.141910 1.493752 0.195415
C -1.668066 0.913129 0.616289
C -4.900948 -0.680399 -0.510176
C -5.303509 0.663858 -0.320273
C -3.490178 0.071315 2.217435
C -0.600357 -0.047203 1.184212
C 1.106104 -0.080416 -0.601093
C 1.821402 -0.115538 1.712022
C -5.806584 -1.639076 -1.007991
C -6.618097 1.074209 -0.608132
C 2.464512 0.489807 -1.041852
C 3.189469 0.455902 1.309867
C -7.131022 -1.233107 -1.302579
C -7.533673 0.111320 -1.099380
C 4.880027 0.206762 -0.504628
C 5.938041 -0.425785 0.233271
C 5.253143 0.931644 -1.674069
C 7.284749 -0.270712 -0.145678
C 6.602875 1.056727 -2.068383
C 7.631597 0.473662 -1.296421
C 4.993460 -2.491085 1.109499
H -3.210866 -1.788037 0.388613
H -3.654673 2.038735 -0.648089
H -1.557453 1.893534 1.124958
H -1.454171 1.084354 -0.455157
H -4.557577 -0.193973 2.313355
H -2.888169 -0.782165 2.577877
H -3.305703 0.929845 2.886919
H -0.639305 -0.032487 2.289422
H -0.826700 -1.093070 0.860598
H 0.322658 0.265241 -1.297690
H 1.142807 -1.197915 -0.669794
H 1.885932 -1.234548 1.733659
H 1.573620 0.232154 2.732088
H -5.494189 -2.678758 -1.157220
H -6.924228 2.110236 -0.432523
H -3.006547 -0.414067 -2.086000
H -3.891073 3.081568 1.418952
H 2.708014 0.096101 -2.045050
H 2.384445 1.600563 -1.109349
H 3.153074 1.565233 1.402627
H 3.976012 0.070632 1.977650
H -7.854465 -1.963670 -1.681738
H -8.565953 0.404902 -1.321507
H 4.481339 1.431343 -2.267211
H 8.046062 -0.763388 0.468478
H 6.847908 1.628528 -2.970687
H 8.681452 0.582540 -1.587730
H 5.634091 -3.132499 0.474306
H 4.023885 -2.314604 0.607853
H 4.840395 -2.968379 2.090051


