%chk=000294441.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294441

0 1
O 2.802683 0.309389 0.668877
O -3.020803 -0.657190 -1.216523
O 1.567635 0.133494 -2.909593
O -1.156250 3.116593 -0.221223
O 2.093568 2.285853 2.575886
O -3.148594 0.534543 2.104455
N -0.092048 -1.487853 1.019748
C -0.215706 0.155536 -0.825783
C 1.036779 1.065248 -0.769510
C -1.435506 0.766129 -0.094379
C 0.126965 -1.232828 -0.300863
C 1.777780 0.939447 0.567864
C -2.628696 -0.178407 -0.178557
C 1.949439 0.803541 -1.976112
C -1.755128 2.153926 -0.651519
C 0.668907 -2.196605 -1.171761
C 1.120962 1.670860 1.732236
C -3.299687 -0.520016 1.149476
C 3.287797 1.461887 -1.945765
C -2.783112 2.260459 -1.727533
C 0.995530 -3.455008 -0.662626
C 0.233596 -2.716990 1.499325
C 0.777605 -3.727496 0.691778
C 2.818903 1.374333 3.431345
C -4.127250 1.587914 1.989978
H -0.502519 0.042577 -1.915117
H 0.714557 2.142519 -0.870517
H -1.183718 0.890624 1.003197
H 0.841880 -1.951889 -2.224688
H 0.514377 2.547184 1.404119
H 0.471031 0.968354 2.296019
H -4.355806 -0.807776 1.013932
H -2.748706 -1.360105 1.633276
H 3.248733 2.518522 -1.654185
H 3.791725 1.398322 -2.921605
H 3.946533 0.957535 -1.210269
H -2.650304 3.178482 -2.321297
H -2.759791 1.403559 -2.424831
H -3.803528 2.296875 -1.320263
H 1.419732 -4.217367 -1.317255
H 0.048150 -2.877079 2.567666
H 1.027664 -4.697909 1.113205
H 3.494413 2.051216 3.966942
H 3.382669 0.652618 2.827176
H 2.135433 0.872226 4.119783
H -3.836187 2.262638 2.807180
H -5.135486 1.197162 2.154244
H -4.047621 2.093750 1.025366


%chk=000294441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294441

0 1
O 3.074048 0.407524 0.339530
O -2.901546 -1.015080 -0.828821
O 1.455922 0.406693 -3.031154
O -1.452359 3.175757 -0.639580
O 2.479732 1.598104 2.843749
O -3.255565 0.964822 2.224387
N -0.156974 -1.394247 1.153744
C -0.188388 0.191757 -0.754768
C 1.020957 1.207388 -0.752745
C -1.457333 0.814371 -0.068337
C 0.195083 -1.160064 -0.147588
C 1.975616 1.006187 0.456221
C -2.577651 -0.217284 0.091743
C 1.799259 1.173373 -2.092292
C -1.902770 2.031233 -0.924118
C 0.909503 -2.111040 -0.916885
C 1.484022 1.570859 1.797641
C -3.304951 -0.269290 1.448281
C 2.977042 2.118349 -2.226413
C -2.817983 1.806327 -2.112830
C 1.276661 -3.335574 -0.321518
C 0.206079 -2.582528 1.720215
C 0.922812 -3.580153 1.025904
C 2.762207 0.280310 3.432847
C -4.260466 1.952741 1.816567
H -0.412853 0.002263 -1.821793
H 0.603145 2.233119 -0.658299
H -1.208099 1.200796 0.932735
H 1.163064 -1.881653 -1.956264
H 1.161619 2.618802 1.648643
H 0.587816 0.979057 2.100758
H -4.345947 -0.619199 1.283722
H -2.766966 -1.019351 2.056350
H 2.789989 3.085784 -1.727395
H 3.215865 2.275359 -3.289640
H 3.850327 1.656481 -1.727733
H -2.825252 2.702500 -2.751844
H -2.519764 0.914719 -2.691097
H -3.850333 1.607264 -1.764417
H 1.826626 -4.086498 -0.898213
H -0.098784 -2.730679 2.762813
H 1.188230 -4.517410 1.524492
H 3.418402 0.477755 4.294694
H 3.277062 -0.376603 2.709197
H 1.825539 -0.204421 3.780722
H -4.159827 2.791925 2.521367
H -5.284380 1.530494 1.882601
H -4.089840 2.327758 0.786120


