%chk=000229118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229118

0 1
O -3.137715 -1.016474 0.046248
O -3.102955 1.298694 0.215189
O -6.006846 -0.772243 -1.611792
O -5.974406 1.383732 -1.454408
N -5.778957 0.265139 -1.020407
C -5.275387 0.150774 0.442183
C -2.375529 0.099943 0.541638
C -1.119579 0.143824 -0.318065
C 0.157624 0.063565 0.520909
C -4.448001 -1.144735 0.607937
C -4.410003 1.383158 0.792525
C 1.406105 0.109680 -0.370834
C 2.691789 0.030010 0.463064
C 3.939927 0.075749 -0.428798
C -6.533298 0.106485 1.307769
C 5.226926 -0.003460 0.403392
C 6.474911 0.041861 -0.488705
C 7.762025 -0.036982 0.342975
C 9.011153 0.008020 -0.548461
C 10.295519 -0.069760 0.274011
H -2.245356 0.018184 1.635088
H -1.134978 1.074147 -0.930226
H -1.161353 -0.687034 -1.058612
H 0.186860 0.899022 1.248070
H 0.160302 -0.868839 1.119424
H -4.366308 -1.424802 1.672793
H -4.872491 -1.990533 0.022501
H -4.807755 2.317333 0.337126
H -4.322218 1.502988 1.886577
H 1.378786 -0.722380 -1.101415
H 1.405042 1.038921 -0.973600
H 2.720859 0.862543 1.192331
H 2.694364 -0.899287 1.064881
H 3.938447 1.004494 -1.031612
H 3.912193 -0.756422 -1.158645
H 5.229376 -0.932165 1.005973
H 5.255897 0.829050 1.132564
H -6.288160 0.024841 2.374786
H -7.174326 -0.753258 1.060567
H -7.147740 1.011835 1.189528
H 6.446576 -0.790647 -1.217980
H 6.472879 0.970334 -1.091736
H 7.792324 0.795093 1.072326
H 7.765880 -0.964919 0.946412
H 9.009636 0.936961 -1.151691
H 8.983405 -0.825457 -1.277409
H 11.180954 -0.037397 -0.370603
H 10.346895 -0.997202 0.855552
H 10.373508 0.764318 0.980558


%chk=000229118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229118

0 1
O -3.596638 -1.050522 -0.607672
O -2.717639 0.846949 0.583792
O -6.095477 0.844294 -1.632835
O -5.256360 2.632929 -0.508161
N -5.513614 1.381204 -0.623071
C -5.186016 0.454979 0.603816
C -2.503112 -0.562922 0.239420
C -1.205292 -0.677241 -0.544792
C 0.039724 -0.305719 0.290494
C -4.882235 -0.972683 0.094092
C -3.955535 1.020678 1.349794
C 1.350820 -0.441368 -0.514970
C 2.607653 -0.076669 0.306422
C 3.923537 -0.227222 -0.489481
C -6.450524 0.483751 1.489945
C 5.181118 0.135581 0.332115
C 6.499067 -0.031991 -0.457227
C 7.756833 0.328228 0.365346
C 9.075742 0.151112 -0.421129
C 10.327180 0.508156 0.410063
H -2.495860 -1.157930 1.188313
H -1.287763 -0.018508 -1.429084
H -1.127020 -1.717175 -0.914372
H -0.068976 0.731880 0.659407
H 0.094905 -0.958332 1.187701
H -4.879927 -1.648035 0.978670
H -5.641847 -1.303031 -0.628492
H -4.058193 2.102475 1.515886
H -3.883883 0.491516 2.326251
H 1.447956 -1.481835 -0.890387
H 1.298198 0.209243 -1.412552
H 2.516331 0.967765 0.670893
H 2.652688 -0.718579 1.211475
H 3.880232 0.413692 -1.394939
H 4.013531 -1.272305 -0.853564
H 5.217718 -0.497815 1.243474
H 5.097113 1.184234 0.686861
H -6.296413 -0.148118 2.382116
H -7.325005 0.097956 0.937738
H -6.671586 1.511800 1.825635
H 6.582124 -1.080867 -0.812057
H 6.464019 0.601337 -1.368547
H 7.678753 1.379009 0.715428
H 7.789958 -0.301139 1.279646
H 9.043758 0.782091 -1.332978
H 9.151019 -0.898222 -0.773032
H 11.255573 0.375116 -0.175563
H 10.400350 -0.131570 1.309968
H 10.289820 1.560525 0.750042


