%chk=000212393.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212393

0 1
O 2.719367 -0.270360 0.132126
O 2.330598 -0.747486 -2.064333
N -1.732767 -0.766747 0.152543
N 0.978653 -1.673788 -0.390300
N -5.302171 0.437907 0.090579
C 3.997553 0.384901 -0.228359
C 5.069193 -0.703253 -0.320390
C 4.209973 1.350312 0.940606
C 6.463411 -0.069275 -0.383993
C 5.611025 1.969114 0.861726
C 6.698296 0.887071 0.794029
C -1.243304 -0.884721 -1.260786
C -0.606657 -0.376382 1.064072
C -0.140218 -1.959188 -1.336194
C 0.496285 -1.452841 1.001781
C -2.862885 0.213626 0.251194
C -4.169724 -0.517668 -0.129913
C 2.012044 -0.858600 -0.895475
C -6.547854 -0.268628 0.538400
C -5.552933 1.268887 -1.134865
C -6.393592 -0.733186 1.987432
C -6.325996 2.534115 -0.758698
H 3.849456 0.907945 -1.197136
H 4.989493 -1.381294 0.551524
H 4.886406 -1.334578 -1.212820
H 3.432241 2.135958 0.932682
H 4.078777 0.807063 1.897889
H 7.233773 -0.863397 -0.385933
H 6.584755 0.474450 -1.341327
H 5.681552 2.628563 -0.025222
H 5.779803 2.620017 1.740255
H 6.715236 0.314666 1.741608
H 7.694118 1.359289 0.703035
H -2.100262 -1.195387 -1.897293
H -0.866333 0.075868 -1.674445
H -0.177639 0.621166 0.828228
H -1.005566 -0.323549 2.100634
H 0.259176 -2.035208 -2.373383
H -0.551305 -2.957081 -1.059057
H 0.100588 -2.429107 1.366917
H 1.352279 -1.171512 1.655471
H -2.956512 0.578146 1.298707
H -2.721048 1.118424 -0.375334
H -4.116515 -0.908673 -1.166531
H -4.282632 -1.409738 0.526894
H -7.395000 0.451706 0.476261
H -6.813255 -1.128142 -0.114085
H -6.094411 0.711977 -1.929834
H -4.569678 1.561085 -1.566661
H -5.629030 -1.512595 2.089060
H -6.084605 0.100112 2.632983
H -7.335739 -1.131496 2.375877
H -7.351373 2.310040 -0.443331
H -5.841953 3.051646 0.081000
H -6.376694 3.230224 -1.601515


%chk=000212393-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212393

0 1
O 3.004876 0.057333 0.244123
O 2.566176 -0.421878 -2.022302
N -1.889521 -0.299029 0.211129
N 0.898378 -0.631741 -0.384988
N -5.684679 0.139860 0.056020
C 4.430537 0.338069 -0.116690
C 5.234434 -0.974831 -0.139663
C 4.956981 1.321874 0.937135
C 6.736583 -0.681656 -0.382817
C 6.459939 1.615267 0.694951
C 7.292463 0.310114 0.667202
C -1.407449 -0.262160 -1.194072
C -0.853041 0.252276 1.120884
C -0.121108 -1.094891 -1.345902
C 0.448427 -0.568250 1.019101
C -3.212737 0.351658 0.387955
C -4.377516 -0.554890 -0.069131
C 2.175378 -0.346834 -0.822327
C -6.802598 -0.776551 0.407694
C -5.987982 0.995916 -1.123858
C -6.774471 -1.217816 1.883407
C -6.933986 2.166252 -0.793451
H 4.437934 0.794148 -1.125672
H 5.106019 -1.485046 0.836046
H 4.834509 -1.639339 -0.926659
H 4.364111 2.254925 0.906263
H 4.820641 0.876376 1.942623
H 7.308538 -1.628775 -0.362149
H 6.867358 -0.252622 -1.397642
H 6.580282 2.144263 -0.273023
H 6.836380 2.297993 1.480421
H 7.260320 -0.163893 1.669973
H 8.354025 0.539861 0.452724
H -2.184073 -0.681821 -1.857660
H -1.204388 0.789091 -1.525017
H -0.625498 1.324469 0.888660
H -1.229675 0.200805 2.159001
H 0.296840 -1.002480 -2.361119
H -0.354527 -2.160634 -1.147671
H 0.249726 -1.596948 1.383822
H 1.243443 -0.119190 1.631099
H -3.360839 0.565216 1.461910
H -3.262714 1.336055 -0.142083
H -4.205165 -0.917737 -1.112425
H -4.374922 -1.451388 0.574432
H -7.749815 -0.237754 0.222541
H -6.817218 -1.677897 -0.257454
H -6.412805 0.391241 -1.966028
H -5.031459 1.411480 -1.492193
H -5.851632 -1.773827 2.129836
H -6.826084 -0.334606 2.543686
H -7.632735 -1.879392 2.105923
H -7.917038 1.813324 -0.432485
H -6.491154 2.799999 -0.005545
H -7.111066 2.786411 -1.692238


