%chk=000220429.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220429

0 1
O -1.122104 -0.126395 1.815801
O -6.865851 -0.778635 -0.791198
N 1.929652 -3.587057 -0.439197
C 1.007845 -0.245708 0.067632
C 2.155122 -0.988894 -0.680097
C -0.385387 -0.735357 -0.373206
C 1.108932 1.252593 -0.143292
C 3.508019 -0.537110 -0.156997
C -1.436667 -0.430268 0.681262
C 1.239188 1.805813 -1.425947
C 1.041374 2.101854 0.971476
C 2.028089 -2.440228 -0.536612
C 3.958360 -0.949758 1.105753
C 4.306089 0.307924 -0.940502
C -2.863170 -0.526383 0.278228
C 1.319544 3.191608 -1.587813
C 1.121562 3.486821 0.805178
C 1.264246 4.034646 -0.473578
C 5.202301 -0.522177 1.576672
C 5.549055 0.733895 -0.462838
C -3.286167 -1.130244 -0.922072
C -3.823810 0.002994 1.158501
C 5.999756 0.319278 0.793999
C -4.633134 -1.197901 -1.245251
C -5.184430 -0.046407 0.857331
C -5.576672 -0.648552 -0.346803
C -7.933661 -0.264411 0.044732
H 1.116990 -0.469225 1.166935
H 2.079321 -0.752469 -1.780028
H -0.664934 -0.274540 -1.341656
H -0.385568 -1.832143 -0.547722
H 1.276699 1.160570 -2.300513
H 0.909769 1.678491 1.969406
H 3.343010 -1.605662 1.721234
H 3.959811 0.644580 -1.916050
H 1.423873 3.615528 -2.584864
H 1.070978 4.139801 1.675219
H 1.329275 5.113019 -0.601216
H 5.550265 -0.845974 2.556763
H 6.165906 1.392444 -1.072482
H -2.555584 -1.559717 -1.609829
H -3.486867 0.459546 2.096719
H 6.968175 0.651353 1.163402
H -4.980754 -1.662643 -2.165435
H -5.908832 0.371288 1.548212
H -7.830186 0.817217 0.169526
H -7.950479 -0.789400 1.004191
H -8.821648 -0.509106 -0.553676


%chk=000220429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220429

0 1
O -1.189803 0.227604 1.773362
O -6.994626 -0.958394 -0.806062
N 1.761791 -3.579572 -0.560569
C 0.998995 -0.159114 0.066971
C 2.160812 -0.939711 -0.676783
C -0.401431 -0.669144 -0.354152
C 1.149655 1.346609 -0.166855
C 3.543006 -0.567934 -0.117806
C -1.498244 -0.241777 0.635424
C 1.032596 1.900076 -1.468709
C 1.409560 2.218326 0.917647
C 1.944939 -2.400990 -0.611972
C 3.983260 -1.088163 1.124664
C 4.374088 0.334249 -0.822675
C -2.927358 -0.425851 0.242358
C 1.176029 3.288715 -1.681969
C 1.554744 3.608279 0.709836
C 1.440069 4.149393 -0.591044
C 5.236052 -0.709241 1.653408
C 5.627674 0.715673 -0.293986
C -3.324982 -1.038317 -0.981987
C -3.939559 0.014949 1.136194
C 6.062376 0.195364 0.946107
C -4.681359 -1.202084 -1.298501
C -5.303930 -0.136400 0.832631
C -5.677817 -0.749810 -0.393542
C -8.074527 -0.521612 0.087568
H 1.109783 -0.353259 1.149133
H 2.127487 -0.659696 -1.748916
H -0.657757 -0.320602 -1.372163
H -0.410746 -1.778781 -0.392076
H 0.821846 1.248678 -2.327797
H 1.484391 1.804464 1.929016
H 3.354545 -1.801968 1.671036
H 4.039754 0.746133 -1.782127
H 1.079961 3.699188 -2.693751
H 1.753383 4.267623 1.562243
H 1.550957 5.227475 -0.753174
H 5.569810 -1.122145 2.611850
H 6.261676 1.416202 -0.848579
H -2.573983 -1.401772 -1.690736
H -3.623610 0.479525 2.076315
H 7.035715 0.487538 1.355673
H -4.999924 -1.675470 -2.231782
H -6.058942 0.217371 1.540825
H -8.039903 0.572296 0.251307
H -8.026151 -1.048442 1.059491
H -9.003004 -0.790583 -0.436046


